CID 137582

Cyclobutane-1,3-dicarboxylic acid

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

C1C(CC1C(=O)O)C(=O)O

InChI

InChI=1S/C6H8O4/c7-5(8)3-1-4(2-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)

InChIKey

WYHYNUWZLKTEEY-UHFFFAOYSA-N

Compound name

cyclobutane-1,3-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2089
Patents: 144.04225 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]+	145.04953	131.4
[M+Na]+	167.03147	135.3
[M+NH4]+	162.07607	133.5
[M+K]+	183.00541	134.8
[M-H]-	143.03497	126.8
[M+Na-2H]-	165.01692	130.7
[M]+	144.04170	128.9
[M]-	144.04280	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe