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
3
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]+ 195.137956 147.8
[M+Na]+ 217.119898 152.9
[M-H]- 193.123404 150.6
[M+NH4]+ 212.164503 168.7
[M+K]+ 233.093838 151.4
[M+H-H2O]+ 177.127940 142.0
[M+HCOO]- 239.128881 169.4
[M+CH3COO]- 253.144531 184.1
[M+Na-2H]- 215.105346 148.5
[M]+ 194.13013142 148.1
[M]- 194.13122858 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.