CID 575355

Cyclopentanecarboxylic acid, decyl ester

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CCCCCCCCCCOC(=O)C1CCCC1

InChI

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-11-14-18-16(17)15-12-9-10-13-15/h15H,2-14H2,1H3

InChIKey

DMBAHFHSYCJJPF-UHFFFAOYSA-N

Compound name

decyl cyclopentanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 254.22458 Da
Monoisotopic Mass: 6.2
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]+	255.231856	169.1
[M+Na]+	277.213798	171.4
[M-H]-	253.217304	170.5
[M+NH4]+	272.258403	187.6
[M+K]+	293.187738	169.2
[M+H-H2O]+	237.221840	162.4
[M+HCOO]-	299.222781	188.7
[M+CH3COO]-	313.238431	196.6
[M+Na-2H]-	275.199246	167.9
[M]+	254.22403142	170.8
[M]-	254.22512858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe