CID 66903

Cyclohexyl stearate

Structural Information

Molecular Formula
C24H46O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC1CCCCC1
InChI
InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h23H,2-22H2,1H3
InChIKey
NRVKWKPZZQHRSP-UHFFFAOYSA-N
Compound name
cyclohexyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
Patents

366.3498 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.357076 203.0
[M+Na]+ 389.339018 200.9
[M-H]- 365.342524 202.5
[M+NH4]+ 384.383623 215.0
[M+K]+ 405.312958 196.7
[M+H-H2O]+ 349.347060 194.4
[M+HCOO]- 411.348001 217.7
[M+CH3COO]- 425.363651 220.7
[M+Na-2H]- 387.324466 198.8
[M]+ 366.34925142 205.5
[M]- 366.35034858 205.5
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