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: 109
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]+	145.085916	130.7
[M+Na]+	167.067858	136.2
[M-H]-	143.071364	132.3
[M+NH4]+	162.112463	152.7
[M+K]+	183.041798	135.9
[M+H-H2O]+	127.075900	125.6
[M+HCOO]-	189.076841	151.9
[M+CH3COO]-	203.092491	169.5
[M+Na-2H]-	165.053306	133.9
[M]+	144.07809142	128.7
[M]-	144.07918858	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe