CID 43424353

2-(cyclopentyloxy)propanoic acid

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(C(=O)O)OC1CCCC1

InChI

InChI=1S/C8H14O3/c1-6(8(9)10)11-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,9,10)

InChIKey

AFGBXZOYRLZLGP-UHFFFAOYSA-N

Compound name

2-cyclopentyloxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 158.0943 Da
Monoisotopic Mass: 1.3
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]+	159.101576	135.7
[M+Na]+	181.083518	140.6
[M-H]-	157.087024	137.3
[M+NH4]+	176.128123	157.2
[M+K]+	197.057458	140.5
[M+H-H2O]+	141.091560	130.7
[M+HCOO]-	203.092501	155.7
[M+CH3COO]-	217.108151	173.4
[M+Na-2H]-	179.068966	137.2
[M]+	158.09375142	133.5
[M]-	158.09484858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe