CID 61386

Isoamyl laurate

Structural Information

Molecular Formula

C₁₇H₃₄O₂

SMILES

CCCCCCCCCCCC(=O)OCCC(C)C

InChI

InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3

InChIKey

FVKRIDSRWFEQME-UHFFFAOYSA-N

Compound name

3-methylbutyl dodecanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 2430
Patents: 270.2559 Da
Monoisotopic Mass: 7.0
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]+	271.26318	172.5
[M+Na]+	293.24512	180.3
[M+NH4]+	288.28972	178.4
[M+K]+	309.21906	173.3
[M-H]-	269.24862	171.0
[M+Na-2H]-	291.23057	173.0
[M]+	270.25535	172.9
[M]-	270.25645	172.9

Literature stripe

literature stripe

Patent stripe

patents stripe