PubChemLite - Ethylestrenol (C20H32O)

Structural Information

Molecular Formula

SMILES

CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@H]34)C)O

InChI

InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

AOXRBFRFYPMWLR-XGXHKTLJSA-N

Compound name

(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-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]+	289.25261	175.3
[M+Na]+	311.23455	184.6
[M+NH4]+	306.27915	188.9
[M+K]+	327.20849	174.0
[M-H]-	287.23805	178.6
[M+Na-2H]-	309.22000	178.2
[M]+	288.24478	177.8
[M]-	288.24588	177.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

289.25261

175.3

[M+Na]+

311.23455

184.6

[M+NH4]+

306.27915

188.9

[M+K]+

327.20849

174.0

[M-H]-

287.23805

178.6

[M+Na-2H]-

309.22000

178.2

[M]+

288.24478

177.8

[M]-

288.24588

177.8

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

Ethylestrenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe