CID 736153

73873-61-7

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

COC1CCC(CC1)C(=O)O

InChI

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

InChIKey

WKILSRYNRQGRMA-UHFFFAOYSA-N

Compound name

4-methoxycyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1088
Patents: 158.0943 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]+	159.10158	133.3
[M+Na]+	181.08352	138.4
[M-H]-	157.08702	134.9
[M+NH4]+	176.12812	153.3
[M+K]+	197.05746	138.0
[M+H-H2O]+	141.09156	128.2
[M+HCOO]-	203.09250	152.2
[M+CH3COO]-	217.10815	173.9
[M+Na-2H]-	179.06897	136.7
[M]+	158.09375	130.0
[M]-	158.09485	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe