CID 56936002

(e)-2-hexenyl (e)-7,9-decadienoate

Structural Information

Molecular Formula
C16H26O2
SMILES
CCC/C=C/COC(=O)CCCCC/C=C/C=C
InChI
InChI=1S/C16H26O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3,5,7-8,13H,1,4,6,9-12,14-15H2,2H3/b7-5+,13-8+
InChIKey
SBTGHFZCYIFQIH-OAPZVAQESA-N
Compound name
[(E)-hex-2-enyl] (7E)-deca-7,9-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.19328 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 165.2
[M+Na]+ 273.18250 169.5
[M-H]- 249.18600 164.0
[M+NH4]+ 268.22710 182.6
[M+K]+ 289.15644 165.6
[M+H-H2O]+ 233.19054 159.2
[M+HCOO]- 295.19148 186.1
[M+CH3COO]- 309.20713 196.6
[M+Na-2H]- 271.16795 165.9
[M]+ 250.19273 169.6
[M]- 250.19383 169.6
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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