CID 150918

Androst-5-en-3-ol

Structural Information

Molecular Formula
C19H30O
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

compound 2d structure
2
Annotation Hits

13
References

77
Patents

274.22968 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.23696 170.6
[M+Na]+ 297.21890 175.1
[M-H]- 273.22240 173.5
[M+NH4]+ 292.26350 194.7
[M+K]+ 313.19284 169.0
[M+H-H2O]+ 257.22694 164.1
[M+HCOO]- 319.22788 180.0
[M+CH3COO]- 333.24353 179.7
[M+Na-2H]- 295.20435 171.5
[M]+ 274.22913 161.8
[M]- 274.23023 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe