CID 13355021

95832-60-3

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

C1CCC(C1)OCC(=O)O

InChI

InChI=1S/C7H12O3/c8-7(9)5-10-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)

InChIKey

JPUGGGCNNKXYCU-UHFFFAOYSA-N

Compound name

2-cyclopentyloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 144.07864 Da
Monoisotopic Mass: 0.9
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]+	145.08592	130.7
[M+Na]+	167.06786	136.2
[M-H]-	143.07136	132.3
[M+NH4]+	162.11246	152.7
[M+K]+	183.04180	135.9
[M+H-H2O]+	127.07590	125.6
[M+HCOO]-	189.07684	151.9
[M+CH3COO]-	203.09249	169.5
[M+Na-2H]-	165.05331	133.9
[M]+	144.07809	128.7
[M]-	144.07919	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe