CID 3084429

12-tricosanol

Structural Information

Molecular Formula
C23H48O
SMILES
CCCCCCCCCCCC(CCCCCCCCCCC)O
InChI
InChI=1S/C23H48O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
InChIKey
PFMNFSXMCRSYMU-UHFFFAOYSA-N
Compound name
tricosan-12-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

132
Patents

340.3705 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.37778 200.2
[M+Na]+ 363.35972 199.7
[M-H]- 339.36322 195.9
[M+NH4]+ 358.40432 213.3
[M+K]+ 379.33366 195.0
[M+H-H2O]+ 323.36776 192.8
[M+HCOO]- 385.36870 216.0
[M+CH3COO]- 399.38435 218.3
[M+Na-2H]- 361.34517 196.3
[M]+ 340.36995 206.8
[M]- 340.37105 206.8
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