CID 73425517

Carvyl palmitate

Structural Information

Molecular Formula

C₂₆H₄₆O₂

SMILES

CCCCCCCCCCCCCCCC(=O)OC1CC(CC=C1C)C(=C)C

InChI

InChI=1S/C26H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(27)28-25-21-24(22(2)3)20-19-23(25)4/h19,24-25H,2,5-18,20-21H2,1,3-4H3

InChIKey

OFDWJGZBZOYJCK-UHFFFAOYSA-N

Compound name

(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) hexadecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 22
Patents: 390.3498 Da
Monoisotopic Mass: 10.0
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]+	391.35708	207.8
[M+Na]+	413.33902	207.9
[M-H]-	389.34252	208.2
[M+NH4]+	408.38362	219.4
[M+K]+	429.31296	203.0
[M+H-H2O]+	373.34706	199.6
[M+HCOO]-	435.34800	222.5
[M+CH3COO]-	449.36365	228.6
[M+Na-2H]-	411.32447	201.1
[M]+	390.34925	211.9
[M]-	390.35035	211.9

Literature stripe

literature stripe

Patent stripe

patents stripe