CID 122163932

23472-39-1

Structural Information

Molecular Formula
C8H12O4
SMILES
C[C@@]1(CC[C@]1(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)/t7-,8-/m1/s1
InChIKey
UAVBJCGFDYWJAG-HTQZYQBOSA-N
Compound name
trans-(1S,2S)-1,2-dimethylcyclobutane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 138.6
[M+Na]+ 195.062778 144.6
[M-H]- 171.066284 140.1
[M+NH4]+ 190.107383 154.7
[M+K]+ 211.036718 147.0
[M+H-H2O]+ 155.070820 131.7
[M+HCOO]- 217.071761 156.1
[M+CH3COO]- 231.087411 178.1
[M+Na-2H]- 193.048226 142.3
[M]+ 172.07301142 146.7
[M]- 172.07410858 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.