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
2
Annotation Hits

0
References

371
Patents

158.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 133.5
[M+Na]+ 181.04712 143.1
[M-H]- 157.05062 138.7
[M+NH4]+ 176.09172 151.5
[M+K]+ 197.02106 143.4
[M+H-H2O]+ 141.05516 129.3
[M+HCOO]- 203.05610 156.2
[M+CH3COO]- 217.07175 178.3
[M+Na-2H]- 179.03257 139.3
[M]+ 158.05735 139.8
[M]- 158.05845 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