CID 5367676

2-nonynoic acid, 3-hexenyl ester, (z)-

Structural Information

Molecular Formula
C15H24O2
SMILES
CCCCCCC#CC(=O)OCC/C=C\CC
InChI
InChI=1S/C15H24O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-10,12,14H2,1-2H3/b8-6-
InChIKey
PDPNRGJWKDIKKR-VURMDHGXSA-N
Compound name
[(Z)-hex-3-enyl] non-2-ynoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

236.17763 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 156.2
[M+Na]+ 259.16685 163.2
[M-H]- 235.17035 154.9
[M+NH4]+ 254.21145 172.5
[M+K]+ 275.14079 159.7
[M+H-H2O]+ 219.17489 144.7
[M+HCOO]- 281.17583 171.9
[M+CH3COO]- 295.19148 199.9
[M+Na-2H]- 257.15230 157.4
[M]+ 236.17708 155.2
[M]- 236.17818 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.