CID 4066088

Ethyl 2,3-butadienoate

Structural Information

Molecular Formula
C6H8O2
SMILES
CCOC(=O)C=C=C
InChI
InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h5H,1,4H2,2H3
InChIKey
GLSUOACRAMLJIW-UHFFFAOYSA-N
Compound name
ethyl buta-2,3-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

167
Patents

112.05243 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 120.4
[M+Na]+ 135.04165 128.5
[M-H]- 111.04515 121.0
[M+NH4]+ 130.08625 143.4
[M+K]+ 151.01559 128.0
[M+H-H2O]+ 95.049690 116.4
[M+HCOO]- 157.05063 144.4
[M+CH3COO]- 171.06628 167.8
[M+Na-2H]- 133.02710 126.5
[M]+ 112.05188 121.8
[M]- 112.05298 121.8
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