CID 6062768

27750-19-2

Structural Information

Molecular Formula
C8H12O4
SMILES
CCOC(=O)/C=C(\C)/OC(=O)C
InChI
InChI=1S/C8H12O4/c1-4-11-8(10)5-6(2)12-7(3)9/h5H,4H2,1-3H3/b6-5+
InChIKey
VSCUAMOPAHJJTA-AATRIKPKSA-N
Compound name
ethyl (E)-3-acetyloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 135.8
[M+Na]+ 195.06278 142.6
[M-H]- 171.06628 136.2
[M+NH4]+ 190.10738 156.2
[M+K]+ 211.03672 143.4
[M+H-H2O]+ 155.07082 131.1
[M+HCOO]- 217.07176 157.7
[M+CH3COO]- 231.08741 179.0
[M+Na-2H]- 193.04823 138.3
[M]+ 172.07301 139.4
[M]- 172.07411 139.4
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.