CID 74786

Ethyl 4-pentenoate

Structural Information

Molecular Formula
C7H12O2
SMILES
CCOC(=O)CCC=C
InChI
InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3
InChIKey
PTVSRINJXWDIKP-UHFFFAOYSA-N
Compound name
ethyl pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

942
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.6
[M+Na]+ 151.07294 133.9
[M-H]- 127.07644 127.0
[M+NH4]+ 146.11754 148.9
[M+K]+ 167.04688 133.7
[M+H-H2O]+ 111.08098 122.2
[M+HCOO]- 173.08192 150.1
[M+CH3COO]- 187.09757 172.5
[M+Na-2H]- 149.05839 132.1
[M]+ 128.08317 129.1
[M]- 128.08427 129.1
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.