CID 3023190

Octadecyl 2-hexyldecanoate

Structural Information

Molecular Formula

C₃₄H₆₈O₂

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC

InChI

InChI=1S/C34H68O2/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-24-26-29-32-36-34(35)33(30-27-12-9-6-3)31-28-25-14-11-8-5-2/h33H,4-32H2,1-3H3

InChIKey

SHINCAFTGSFLIN-UHFFFAOYSA-N

Compound name

octadecyl 2-hexyldecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 508.52194 Da
Monoisotopic Mass: 16.1
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]+	509.529216	246.6
[M+Na]+	531.511158	252.9
[M-H]-	507.514664	229.2
[M+NH4]+	526.555763	246.7
[M+K]+	547.485098	253.8
[M+H-H2O]+	491.519200	247.0
[M+HCOO]-	553.520141	252.2
[M+CH3COO]-	567.535791	253.7
[M+Na-2H]-	529.496606	231.8
[M]+	508.52139142	247.7
[M]-	508.52248858	247.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe