CID 10975600

88335-87-9

Structural Information

Molecular Formula
C6H8O4
SMILES
COC(=O)[C@@H]1C[C@@H]1C(=O)O
InChI
InChI=1S/C6H8O4/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1
InChIKey
IRRAJLZEAOBJIV-IUYQGCFVSA-N
Compound name
cis-(1S,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

288
Patents

144.04225 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 126.8
[M+Na]+ 167.031468 136.6
[M-H]- 143.034974 130.7
[M+NH4]+ 162.076073 142.9
[M+K]+ 183.005408 135.1
[M+H-H2O]+ 127.039510 121.7
[M+HCOO]- 189.040451 148.7
[M+CH3COO]- 203.056101 175.1
[M+Na-2H]- 165.016916 131.0
[M]+ 144.04170142 130.9
[M]- 144.04279858 130.9
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