CID 111025

Diethyl 2-vinylcyclopropane-1,1-dicarboxylate

Structural Information

Molecular Formula
C11H16O4
SMILES
CCOC(=O)C1(CC1C=C)C(=O)OCC
InChI
InChI=1S/C11H16O4/c1-4-8-7-11(8,9(12)14-5-2)10(13)15-6-3/h4,8H,1,5-7H2,2-3H3
InChIKey
UOQTXZICFVMERR-UHFFFAOYSA-N
Compound name
diethyl 2-ethenylcyclopropane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

212.10486 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 147.9
[M+Na]+ 235.09408 157.1
[M-H]- 211.09758 152.7
[M+NH4]+ 230.13868 164.0
[M+K]+ 251.06802 155.7
[M+H-H2O]+ 195.10212 143.4
[M+HCOO]- 257.10306 169.5
[M+CH3COO]- 271.11871 190.0
[M+Na-2H]- 233.07953 151.2
[M]+ 212.10431 155.4
[M]- 212.10541 155.4
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