CID 21149607

Einecs 283-578-9

Structural Information

Molecular Formula
C12H18O2
SMILES
CCOC(=O)C(CC=C)C1CCC=C1
InChI
InChI=1S/C12H18O2/c1-3-7-11(12(13)14-4-2)10-8-5-6-9-10/h3,5,8,10-11H,1,4,6-7,9H2,2H3
InChIKey
LLGQUDIFQHRDGK-UHFFFAOYSA-N
Compound name
ethyl 2-cyclopent-2-en-1-ylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 147.8
[M+Na]+ 217.11990 152.9
[M-H]- 193.12340 150.6
[M+NH4]+ 212.16450 168.7
[M+K]+ 233.09384 151.4
[M+H-H2O]+ 177.12794 142.0
[M+HCOO]- 239.12888 169.4
[M+CH3COO]- 253.14453 184.1
[M+Na-2H]- 215.10535 148.5
[M]+ 194.13013 148.1
[M]- 194.13123 148.1
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.