CID 554139

Methyl 10-methylheptadecanoate

Structural Information

Molecular Formula

C₁₉H₃₈O₂

SMILES

CCCCCCCC(C)CCCCCCCCC(=O)OC

InChI

InChI=1S/C19H38O2/c1-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21-3/h18H,4-17H2,1-3H3

InChIKey

DRJCIKFLPGIEQC-UHFFFAOYSA-N

Compound name

methyl 10-methylheptadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 298.28717 Da
Monoisotopic Mass: 8.2
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]+	299.294446	184.4
[M+Na]+	321.276388	186.2
[M-H]-	297.279894	182.4
[M+NH4]+	316.320993	199.9
[M+K]+	337.250328	183.8
[M+H-H2O]+	281.284430	177.6
[M+HCOO]-	343.285371	202.6
[M+CH3COO]-	357.301021	210.2
[M+Na-2H]-	319.261836	181.9
[M]+	298.28662142	191.5
[M]-	298.28771858	191.5

Literature stripe

literature stripe

Patent stripe

patents stripe