CID 1107

Sterol

Structural Information

Molecular Formula
C17H28O
SMILES
C1CC2CCC3C4CCC(CC4CCC3C2C1)O
InChI
InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2
InChIKey
FPXSXMFOYWRHDX-UHFFFAOYSA-N
Compound name
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9393
References

157
Patents

248.21402 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.22130 161.2
[M+Na]+ 271.20324 170.0
[M+NH4]+ 266.24784 172.4
[M+K]+ 287.17718 163.9
[M-H]- 247.20674 164.6
[M+Na-2H]- 269.18869 161.3
[M]+ 248.21347 163.2
[M]- 248.21457 163.2
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