CID 227240

Dtxsid80864945

Structural Information

Molecular Formula
C7H10O2
SMILES
CC=CC(=O)OCC=C
InChI
InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-5H,2,6H2,1H3
InChIKey
WNJBUWVXSNLWEQ-UHFFFAOYSA-N
Compound name
prop-2-enyl but-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

3112
Patents

126.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.1
[M+Na]+ 149.05730 132.8
[M-H]- 125.06080 125.5
[M+NH4]+ 144.10190 147.5
[M+K]+ 165.03124 132.0
[M+H-H2O]+ 109.06534 120.9
[M+HCOO]- 171.06628 148.8
[M+CH3COO]- 185.08193 170.9
[M+Na-2H]- 147.04275 130.7
[M]+ 126.06753 126.8
[M]- 126.06863 126.8
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.