CID 13396426

1,2-dimethylcyclobutane-1,2-dicarboxylic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
CC1(CCC1(C)C(=O)O)C(=O)O
InChI
InChI=1S/C8H12O4/c1-7(5(9)10)3-4-8(7,2)6(11)12/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
UAVBJCGFDYWJAG-UHFFFAOYSA-N
Compound name
1,2-dimethylcyclobutane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 140.5
[M+Na]+ 195.06278 144.3
[M+NH4]+ 190.10738 145.1
[M+K]+ 211.03672 140.1
[M-H]- 171.06628 135.9
[M+Na-2H]- 193.04823 142.5
[M]+ 172.07301 138.4
[M]- 172.07411 138.4
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