CID 6435882

Cis-3-hexenyl cis-3-hexenoate

Structural Information

Molecular Formula
C12H20O2
SMILES
CC/C=C\CCOC(=O)C/C=C\CC
InChI
InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6-
InChIKey
UZJQQWFHPLYECS-SFECMWDFSA-N
Compound name
[(Z)-hex-3-enyl] (Z)-hex-3-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

201
Patents

196.14633 Da
Monoisotopic Mass

3.3
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

patents stripe