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

4
Patents

236.17763 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 156.2
[M+Na]+ 259.166848 163.2
[M-H]- 235.170354 154.9
[M+NH4]+ 254.211453 172.5
[M+K]+ 275.140788 159.7
[M+H-H2O]+ 219.174890 144.7
[M+HCOO]- 281.175831 171.9
[M+CH3COO]- 295.191481 199.9
[M+Na-2H]- 257.152296 157.4
[M]+ 236.17708142 155.2
[M]- 236.17817858 155.2
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.