CID 21037

4924-54-3

Structural Information

Molecular Formula

C₇H₈O₄

SMILES

CC1=C(C(C1)C(=O)O)C(=O)O

InChI

InChI=1S/C7H8O4/c1-3-2-4(6(8)9)5(3)7(10)11/h4H,2H2,1H3,(H,8,9)(H,10,11)

InChIKey

RCIQMZDMRSJPME-UHFFFAOYSA-N

Compound name

3-methylcyclobut-2-ene-1,2-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 156.04225 Da
Monoisotopic Mass: -0.2
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]+	157.04953	133.7
[M+Na]+	179.03147	138.7
[M+NH4]+	174.07607	135.8
[M+K]+	195.00541	138.0
[M-H]-	155.03497	129.3
[M+Na-2H]-	177.01692	133.5
[M]+	156.04170	131.6
[M]-	156.04280	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe