CID 642979

826-34-6

Structural Information

Molecular Formula
C7H10O4
SMILES
COC(=O)[C@@H]1C[C@@H]1C(=O)OC
InChI
InChI=1S/C7H10O4/c1-10-6(8)4-3-5(4)7(9)11-2/h4-5H,3H2,1-2H3/t4-,5+
InChIKey
JBVOSZYUSFDYIN-SYDPRGILSA-N
Compound name
cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

616
Patents

158.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 132.0
[M+Na]+ 181.047118 141.8
[M-H]- 157.050624 137.2
[M+NH4]+ 176.091723 148.4
[M+K]+ 197.021058 141.1
[M+H-H2O]+ 141.055160 126.6
[M+HCOO]- 203.056101 155.1
[M+CH3COO]- 217.071751 179.8
[M+Na-2H]- 179.032566 136.1
[M]+ 158.05735142 138.2
[M]- 158.05844858 138.2
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