CID 14934

Isooctyl palmitate

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C
InChI
InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(25)26-22-19-16-17-20-23(2)3/h23H,4-22H2,1-3H3
InChIKey
CJSPFDQEYQBDNN-UHFFFAOYSA-N
Compound name
6-methylheptyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1211
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 206.9
[M+Na]+ 391.35464 206.5
[M-H]- 367.35814 203.9
[M+NH4]+ 386.39924 219.4
[M+K]+ 407.32858 202.8
[M+H-H2O]+ 351.36268 199.1
[M+HCOO]- 413.36362 223.4
[M+CH3COO]- 427.37927 224.9
[M+Na-2H]- 389.34009 201.7
[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

literature stripe

Patent stripe

patents stripe