CID 7750

Vinyl propionate

Structural Information

Molecular Formula
C5H8O2
SMILES
CCC(=O)OC=C
InChI
InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
InChIKey
UIWXSTHGICQLQT-UHFFFAOYSA-N
Compound name
ethenyl propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

75293
Patents

100.05243 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 117.2
[M+Na]+ 123.04165 125.3
[M-H]- 99.045154 117.9
[M+NH4]+ 118.08625 140.6
[M+K]+ 139.01559 125.7
[M+H-H2O]+ 83.049690 113.2
[M+HCOO]- 145.05063 141.3
[M+CH3COO]- 159.06628 166.4
[M+Na-2H]- 121.02710 123.8
[M]+ 100.05188 118.9
[M]- 100.05298 118.9
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