CID 94144

5alpha-androstane

Structural Information

Molecular Formula
C19H32
SMILES
C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CCCC[C@@]4([C@H]3CC2)C
InChI
InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1
InChIKey
QZLYKIGBANMMBK-UGCZWRCOSA-N
Compound name
(5R,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1093
References

7040
Patents

260.2504 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.25768 169.3
[M+Na]+ 283.23962 172.3
[M-H]- 259.24312 172.8
[M+NH4]+ 278.28422 194.2
[M+K]+ 299.21356 166.5
[M+H-H2O]+ 243.24766 161.9
[M+HCOO]- 305.24860 178.6
[M+CH3COO]- 319.26425 178.1
[M+Na-2H]- 281.22507 169.7
[M]+ 260.24985 158.8
[M]- 260.25095 158.8
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