CID 21205

Methyl 14-methylpentadecanoate

Structural Information

Molecular Formula

C₁₇H₃₄O₂

SMILES

CC(C)CCCCCCCCCCCCC(=O)OC

InChI

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

InChIKey

WAKCWJNDXBPEBP-UHFFFAOYSA-N

Compound name

methyl 14-methylpentadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 72
Patents: 270.2559 Da
Monoisotopic Mass: 7.6
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]+	271.263176	175.3
[M+Na]+	293.245118	177.9
[M-H]-	269.248624	173.7
[M+NH4]+	288.289723	191.9
[M+K]+	309.219058	176.0
[M+H-H2O]+	253.253160	168.8
[M+HCOO]-	315.254101	194.2
[M+CH3COO]-	329.269751	204.3
[M+Na-2H]-	291.230566	173.9
[M]+	270.25535142	181.6
[M]-	270.25644858	181.6

Literature stripe

literature stripe

Patent stripe

patents stripe