CID 5314991

21622-01-5

Structural Information

Molecular Formula
C8H12O2
SMILES
CCOC(=O)C1CC=CC1
InChI
InChI=1S/C8H12O2/c1-2-10-8(9)7-5-3-4-6-7/h3-4,7H,2,5-6H2,1H3
InChIKey
CTLAIKSGNQPPLO-UHFFFAOYSA-N
Compound name
ethyl cyclopent-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

140.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.9
[M+Na]+ 163.07294 136.6
[M-H]- 139.07644 133.3
[M+NH4]+ 158.11754 153.1
[M+K]+ 179.04688 136.3
[M+H-H2O]+ 123.08098 124.7
[M+HCOO]- 185.08192 153.7
[M+CH3COO]- 199.09757 172.1
[M+Na-2H]- 161.05839 134.1
[M]+ 140.08317 130.1
[M]- 140.08427 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.