CID 56936014

(z)-3-nonenyl (e)-2-hexenoate

Structural Information

Molecular Formula
C15H26O2
SMILES
CCCCC/C=C\CCOC(=O)/C=C/CCC
InChI
InChI=1S/C15H26O2/c1-3-5-7-8-9-10-12-14-17-15(16)13-11-6-4-2/h9-11,13H,3-8,12,14H2,1-2H3/b10-9-,13-11+
InChIKey
ZBOHTTYDVIINPB-AZQRDTPRSA-N
Compound name
[(Z)-non-3-enyl] (E)-hex-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.19328 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 162.4
[M+Na]+ 261.18250 166.9
[M-H]- 237.18600 161.4
[M+NH4]+ 256.22710 180.4
[M+K]+ 277.15644 163.9
[M+H-H2O]+ 221.19054 156.6
[M+HCOO]- 283.19148 183.5
[M+CH3COO]- 297.20713 194.5
[M+Na-2H]- 259.16795 163.6
[M]+ 238.19273 167.1
[M]- 238.19383 167.1
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

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