CID 2769539

Dimethyl cyclopropane-1,1-dicarboxylate

Structural Information

Molecular Formula
C7H10O4
SMILES
COC(=O)C1(CC1)C(=O)OC
InChI
InChI=1S/C7H10O4/c1-10-5(8)7(3-4-7)6(9)11-2/h3-4H2,1-2H3
InChIKey
PWLLZZMFFZUSOG-UHFFFAOYSA-N
Compound name
dimethyl cyclopropane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

395
Patents

158.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 133.5
[M+Na]+ 181.047118 143.1
[M-H]- 157.050624 138.7
[M+NH4]+ 176.091723 151.5
[M+K]+ 197.021058 143.4
[M+H-H2O]+ 141.055160 129.3
[M+HCOO]- 203.056101 156.2
[M+CH3COO]- 217.071751 178.3
[M+Na-2H]- 179.032566 139.3
[M]+ 158.05735142 139.8
[M]- 158.05844858 139.8
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