CID 6366435

Butanoic acid, 2-nonenyl ester

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCCC/C=C/COC(=O)CCC
InChI
InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-12-15-13(14)11-4-2/h9-10H,3-8,11-12H2,1-2H3/b10-9+
InChIKey
JTZDGEKMDBKLAI-MDZDMXLPSA-N
Compound name
[(E)-non-2-enyl] butanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

212.17763 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 154.8
[M+Na]+ 235.166848 159.7
[M-H]- 211.170354 154.0
[M+NH4]+ 230.211453 173.8
[M+K]+ 251.140788 157.9
[M+H-H2O]+ 195.174890 149.2
[M+HCOO]- 257.175831 176.3
[M+CH3COO]- 271.191481 190.0
[M+Na-2H]- 233.152296 157.0
[M]+ 212.17708142 159.5
[M]- 212.17817858 159.5
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.