CID 3024983

2-methylcyclohexyl palmitate

Structural Information

Molecular Formula
C23H44O2
SMILES
CCCCCCCCCCCCCCCC(=O)OC1CCCCC1C
InChI
InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(24)25-22-19-17-16-18-21(22)2/h21-22H,3-20H2,1-2H3
InChIKey
HEJYYMALYZHULQ-UHFFFAOYSA-N
Compound name
(2-methylcyclohexyl) hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.33414 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.341416 198.1
[M+Na]+ 375.323358 197.4
[M-H]- 351.326864 198.2
[M+NH4]+ 370.367963 211.0
[M+K]+ 391.297298 193.5
[M+H-H2O]+ 335.331400 190.0
[M+HCOO]- 397.332341 213.2
[M+CH3COO]- 411.347991 218.9
[M+Na-2H]- 373.308806 193.8
[M]+ 352.33359142 200.6
[M]- 352.33468858 200.6
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

No patent data available for this compound.