CID 70334041

1597634-43-9

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

CC1CC(C(C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H12O4/c1-4-2-5(7(9)10)6(3-4)8(11)12/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12)

InChIKey

KPNLIOQRPMSQNQ-UHFFFAOYSA-N

Compound name

4-methylcyclopentane-1,2-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 172.07356 Da
Monoisotopic Mass: 0.6
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]+	173.08084	136.8
[M+Na]+	195.06278	144.2
[M+NH4]+	190.10738	142.9
[M+K]+	211.03672	143.6
[M-H]-	171.06628	134.9
[M+Na-2H]-	193.04823	137.5
[M]+	172.07301	136.7
[M]-	172.07411	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe