CID 55298933

Rac-(1r,2r)-3-methylcyclopropane-1,2-dicarboxylic acid

Structural Information

Molecular Formula
C6H8O4
SMILES
CC1[C@@H]([C@H]1C(=O)O)C(=O)O
InChI
InChI=1S/C6H8O4/c1-2-3(5(7)8)4(2)6(9)10/h2-4H,1H3,(H,7,8)(H,9,10)/t3-,4-/m0/s1
InChIKey
CUXGPKYJOMGPCJ-IMJSIDKUSA-N
Compound name
trans-(1S,2S)-3-methylcyclopropane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

144.04225 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 124.9
[M+Na]+ 167.031468 135.1
[M-H]- 143.034974 127.8
[M+NH4]+ 162.076073 140.5
[M+K]+ 183.005408 132.6
[M+H-H2O]+ 127.039510 120.4
[M+HCOO]- 189.040451 145.3
[M+CH3COO]- 203.056101 174.5
[M+Na-2H]- 165.016916 128.1
[M]+ 144.04170142 127.8
[M]- 144.04279858 127.8
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

patents stripe