CID 10464992

1,1-dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate

Structural Information

Molecular Formula
C9H12O4
SMILES
COC(=O)C1(CC1C=C)C(=O)OC
InChI
InChI=1S/C9H12O4/c1-4-6-5-9(6,7(10)12-2)8(11)13-3/h4,6H,1,5H2,2-3H3
InChIKey
BTHUKAQVHWDTAH-UHFFFAOYSA-N
Compound name
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

184.07356 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 139.4
[M+Na]+ 207.06278 149.3
[M-H]- 183.06628 144.6
[M+NH4]+ 202.10738 156.6
[M+K]+ 223.03672 148.4
[M+H-H2O]+ 167.07082 135.2
[M+HCOO]- 229.07176 161.6
[M+CH3COO]- 243.08741 184.3
[M+Na-2H]- 205.04823 143.7
[M]+ 184.07301 146.1
[M]- 184.07411 146.1
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