CID 7916

Isopropenyl acetate

Structural Information

Molecular Formula
C5H8O2
SMILES
CC(=C)OC(=O)C
InChI
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InChIKey
HETCEOQFVDFGSY-UHFFFAOYSA-N
Compound name
prop-1-en-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

20
References

16344
Patents

100.05243 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 119.0
[M+Na]+ 123.04165 129.3
[M+NH4]+ 118.08625 126.7
[M+K]+ 139.01559 125.1
[M-H]- 99.045154 117.8
[M+Na-2H]- 121.02710 122.6
[M]+ 100.05188 119.8
[M]- 100.05298 119.8
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