CID 14297

Cyclobutane-1,2-dicarboxylic acid

Structural Information

Molecular Formula
C6H8O4
SMILES
C1CC(C1C(=O)O)C(=O)O
InChI
InChI=1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKey
SUSAGCZZQKACKE-UHFFFAOYSA-N
Compound name
cyclobutane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

2187
Patents

144.04225 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 127.3
[M+Na]+ 167.03147 132.3
[M-H]- 143.03497 128.3
[M+NH4]+ 162.07607 140.5
[M+K]+ 183.00541 135.1
[M+H-H2O]+ 127.03951 117.5
[M+HCOO]- 189.04045 145.5
[M+CH3COO]- 203.05610 172.8
[M+Na-2H]- 165.01692 129.7
[M]+ 144.04170 133.9
[M]- 144.04280 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe