CID 10987569

1,1-diethyl cyclopent-3-ene-1,1-dicarboxylate

Structural Information

Molecular Formula
C11H16O4
SMILES
CCOC(=O)C1(CC=CC1)C(=O)OCC
InChI
InChI=1S/C11H16O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKey
AYKIAWRITOYVSR-UHFFFAOYSA-N
Compound name
diethyl cyclopent-3-ene-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

300
Patents

212.10486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.112136 147.8
[M+Na]+ 235.094078 154.2
[M-H]- 211.097584 151.2
[M+NH4]+ 230.138683 170.1
[M+K]+ 251.068018 154.2
[M+H-H2O]+ 195.102120 143.1
[M+HCOO]- 257.103061 170.3
[M+CH3COO]- 271.118711 184.0
[M+Na-2H]- 233.079526 150.7
[M]+ 212.10431142 151.0
[M]- 212.10540858 151.0
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