CID 567920

Cyclohexylsuccinic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

C1CCC(CC1)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C10H16O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)(H,13,14)

InChIKey

FROUMWCGMNOSBK-UHFFFAOYSA-N

Compound name

2-cyclohexylbutanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 615
Patents: 200.10486 Da
Monoisotopic Mass: 2.0
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]+	201.11214	145.2
[M+Na]+	223.09408	152.2
[M+NH4]+	218.13868	151.1
[M+K]+	239.06802	149.5
[M-H]-	199.09758	143.7
[M+Na-2H]-	221.07953	146.6
[M]+	200.10431	145.2
[M]-	200.10541	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe