CID 56936031

4-methyl-3-heptyl palmitate

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCCCCCCCCC(=O)OC(CC)C(C)CCC
InChI
InChI=1S/C24H48O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-23(7-3)22(4)20-6-2/h22-23H,5-21H2,1-4H3
InChIKey
ZQMFEFNLIVRCJO-UHFFFAOYSA-N
Compound name
4-methylheptan-3-yl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.36542 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37270 207.5
[M+Na]+ 391.35464 206.9
[M-H]- 367.35814 204.6
[M+NH4]+ 386.39924 220.0
[M+K]+ 407.32858 203.7
[M+H-H2O]+ 351.36268 199.8
[M+HCOO]- 413.36362 223.0
[M+CH3COO]- 427.37927 225.7
[M+Na-2H]- 389.34009 201.1
[M]+ 368.36487 215.8
[M]- 368.36597 215.8
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.