CID 317553

25090-39-5

Structural Information

Molecular Formula

C₉H₁₄O₄

SMILES

COC(=O)C1CCCC(C1)C(=O)O

InChI

InChI=1S/C9H14O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)

InChIKey

PODOUIALODEQFA-UHFFFAOYSA-N

Compound name

3-methoxycarbonylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 186.0892 Da
Monoisotopic Mass: 1.0
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]+	187.09648	140.1
[M+Na]+	209.07842	148.7
[M+NH4]+	204.12302	146.7
[M+K]+	225.05236	145.3
[M-H]-	185.08192	139.5
[M+Na-2H]-	207.06387	142.5
[M]+	186.08865	140.7
[M]-	186.08975	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe