CID 612272

Schembl12152350

Structural Information

Molecular Formula
C31H52O
SMILES
CC(CCC(=C(C)C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
InChI
InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h22-26,32H,9-19H2,1-8H3
InChIKey
CIBNJPPYSPYHDB-UHFFFAOYSA-N
Compound name
15-(5,6-dimethylhept-5-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

979
Patents

440.40182 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.40910 208.1
[M+Na]+ 463.39104 216.2
[M+NH4]+ 458.43564 223.8
[M+K]+ 479.36498 203.8
[M-H]- 439.39454 218.1
[M+Na-2H]- 461.37649 214.5
[M]+ 440.40127 214.1
[M]- 440.40237 214.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe