CID 13416311

1,1-dimethyl 2-methylcyclopropane-1,1-dicarboxylate

Structural Information

Molecular Formula
C8H12O4
SMILES
CC1CC1(C(=O)OC)C(=O)OC
InChI
InChI=1S/C8H12O4/c1-5-4-8(5,6(9)11-2)7(10)12-3/h5H,4H2,1-3H3
InChIKey
ZVMMUSUTUJIKID-UHFFFAOYSA-N
Compound name
dimethyl 2-methylcyclopropane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

172.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 136.3
[M+Na]+ 195.06278 146.4
[M-H]- 171.06628 141.6
[M+NH4]+ 190.10738 154.0
[M+K]+ 211.03672 146.3
[M+H-H2O]+ 155.07082 132.2
[M+HCOO]- 217.07176 158.6
[M+CH3COO]- 231.08741 182.3
[M+Na-2H]- 193.04823 141.1
[M]+ 172.07301 143.3
[M]- 172.07411 143.3
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