CID 100991

Isodecyl palmitate

Structural Information

Molecular Formula

C₂₆H₅₂O₂

SMILES

CCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C

InChI

InChI=1S/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26(27)28-24-21-18-15-16-19-22-25(2)3/h25H,4-24H2,1-3H3

InChIKey

KUCCCVXLSQTKHH-UHFFFAOYSA-N

Compound name

8-methylnonyl hexadecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 442
Patents: 396.39673 Da
Monoisotopic Mass: 11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	397.40401	211.5
[M+Na]+	419.38595	217.5
[M+NH4]+	414.43055	219.5
[M+K]+	435.35989	208.4
[M-H]-	395.38945	209.6
[M+Na-2H]-	417.37140	209.8
[M]+	396.39618	211.5
[M]-	396.39728	211.5

Literature stripe

literature stripe

Patent stripe

patents stripe