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
(1S,2S)-3-methylcyclopropane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.04225 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 124.9
[M+Na]+ 167.03147 135.1
[M-H]- 143.03497 127.8
[M+NH4]+ 162.07607 140.5
[M+K]+ 183.00541 132.6
[M+H-H2O]+ 127.03951 120.4
[M+HCOO]- 189.04045 145.3
[M+CH3COO]- 203.05610 174.5
[M+Na-2H]- 165.01692 128.1
[M]+ 144.04170 127.8
[M]- 144.04280 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