CID 191994

71995-54-5

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

C1CCC(CC1)OCC(=O)O

InChI

InChI=1S/C8H14O3/c9-8(10)6-11-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)

InChIKey

GOLVMRZULJWHGT-UHFFFAOYSA-N

Compound name

2-cyclohexyloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 643
Patents: 158.0943 Da
Monoisotopic Mass: 1.5
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	134.0
[M+Na]+	181.083518	138.2
[M-H]-	157.087024	135.3
[M+NH4]+	176.128123	153.7
[M+K]+	197.057458	137.7
[M+H-H2O]+	141.091560	128.6
[M+HCOO]-	203.092501	152.9
[M+CH3COO]-	217.108151	172.8
[M+Na-2H]-	179.068966	138.0
[M]+	158.09375142	130.3
[M]-	158.09484858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe