CID 566634

Cyclobut-1-ene-1,2-dicarboxylic acid

Structural Information

Molecular Formula
C6H6O4
SMILES
C1CC(=C1C(=O)O)C(=O)O
InChI
InChI=1S/C6H6O4/c7-5(8)3-1-2-4(3)6(9)10/h1-2H2,(H,7,8)(H,9,10)
InChIKey
UMOGLHXZZGEOAW-UHFFFAOYSA-N
Compound name
cyclobutene-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1257
Patents

142.02661 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03389 125.8
[M+Na]+ 165.01583 131.9
[M-H]- 141.01933 127.1
[M+NH4]+ 160.06043 139.2
[M+K]+ 180.98977 134.4
[M+H-H2O]+ 125.02387 115.9
[M+HCOO]- 187.02481 145.4
[M+CH3COO]- 201.04046 172.5
[M+Na-2H]- 163.00128 129.1
[M]+ 142.02606 133.7
[M]- 142.02716 133.7
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