CID 106990

67952-37-8

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CCC(C)COC(=O)CCCCCCCCC=C

InChI

InChI=1S/C16H30O2/c1-4-6-7-8-9-10-11-12-13-16(17)18-14-15(3)5-2/h4,15H,1,5-14H2,2-3H3

InChIKey

RPJHMIFIFIFHAY-UHFFFAOYSA-N

Compound name

2-methylbutyl undec-10-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 254.22458 Da
Monoisotopic Mass: 5.9
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]+	255.231856	168.9
[M+Na]+	277.213798	172.2
[M-H]-	253.217304	167.5
[M+NH4]+	272.258403	186.0
[M+K]+	293.187738	170.0
[M+H-H2O]+	237.221840	162.7
[M+HCOO]-	299.222781	188.3
[M+CH3COO]-	313.238431	200.5
[M+Na-2H]-	275.199246	168.1
[M]+	254.22403142	174.1
[M]-	254.22512858	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe