Androst-5-en-3-ol (C19H30O)

Structural Information

Molecular Formula

SMILES

C[C@@]12CCC[C@H]1[C@@H]3CC=C4CC(CC[C@@]4([C@H]3CC2)C)O

InChI

InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h5,14-17,20H,3-4,6-12H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1

InChIKey

LYFPAZBMEUSVNA-FZFXZXLVSA-N

Compound name

(8S,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.236956	170.6
[M+Na]+	297.218898	175.1
[M-H]-	273.222404	173.5
[M+NH4]+	292.263503	194.7
[M+K]+	313.192838	169.0
[M+H-H2O]+	257.226940	164.1
[M+HCOO]-	319.227881	180.0
[M+CH3COO]-	333.243531	179.7
[M+Na-2H]-	295.204346	171.5
[M]+	274.22913142	161.8
[M]-	274.23022858	161.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

275.236956

170.6

[M+Na]+

297.218898

175.1

[M-H]-

273.222404

173.5

[M+NH4]+

292.263503

194.7

[M+K]+

313.192838

169.0

[M+H-H2O]+

257.226940

164.1

[M+HCOO]-

319.227881

180.0

[M+CH3COO]-

333.243531

179.7

[M+Na-2H]-

295.204346

171.5

[M]+

274.22913142

161.8

[M]-

274.23022858

161.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Androst-5-en-3-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe