CID 12589276

2-methoxycyclohexane-1-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

COC1CCCCC1C(=O)O

InChI

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

InChIKey

QOHPGWDUUQCBAG-UHFFFAOYSA-N

Compound name

2-methoxycyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 158.0943 Da
Monoisotopic Mass: 1.1
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	133.6
[M+Na]+	181.08352	143.1
[M+NH4]+	176.12812	141.3
[M+K]+	197.05746	138.6
[M-H]-	157.08702	134.0
[M+Na-2H]-	179.06897	137.2
[M]+	158.09375	134.7
[M]-	158.09485	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe