CID 5365049

Cis-3-hexenyl propionate

Structural Information

Molecular Formula
C9H16O2
SMILES
CC/C=C\CCOC(=O)CC
InChI
InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKey
LGTLDEUQCOJGFP-WAYWQWQTSA-N
Compound name
[(Z)-hex-3-enyl] propanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

637
Patents

156.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 136.6
[M+Na]+ 179.10426 146.4
[M+NH4]+ 174.14886 143.7
[M+K]+ 195.07820 140.4
[M-H]- 155.10776 135.4
[M+Na-2H]- 177.08971 139.4
[M]+ 156.11449 137.3
[M]- 156.11559 137.3
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