CID 129837271

4-hexenoic acid, 3-hexenyl ester, (z,e)-

Structural Information

Molecular Formula
C12H20O2
SMILES
CC/C=C\CCOC(=O)CC/C=C/C
InChI
InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h4-7H,3,8-11H2,1-2H3/b6-4+,7-5-
InChIKey
WGKGNHCLNHFGQO-GUBXDBFYSA-N
Compound name
[(Z)-hex-3-enyl] (E)-hex-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 148.6
[M+Na]+ 219.135548 154.3
[M-H]- 195.139054 148.2
[M+NH4]+ 214.180153 168.3
[M+K]+ 235.109488 152.2
[M+H-H2O]+ 179.143590 143.4
[M+HCOO]- 241.144531 170.7
[M+CH3COO]- 255.160181 185.4
[M+Na-2H]- 217.120996 151.4
[M]+ 196.14578142 152.2
[M]- 196.14687858 152.2
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

No patent data available for this compound.