CID 44256505

7-oxo-11e-tetradecenoic acid

Structural Information

Molecular Formula
C14H24O3
SMILES
CC/C=C/CCCC(=O)CCCCCC(=O)O
InChI
InChI=1S/C14H24O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h3-4H,2,5-12H2,1H3,(H,16,17)/b4-3+
InChIKey
WPGZVCKWXQHYGF-ONEGZZNKSA-N
Compound name
(E)-7-oxotetradec-11-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.17255 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17983 161.5
[M+Na]+ 263.16177 165.5
[M-H]- 239.16527 159.1
[M+NH4]+ 258.20637 178.3
[M+K]+ 279.13571 162.7
[M+H-H2O]+ 223.16981 155.8
[M+HCOO]- 285.17075 180.5
[M+CH3COO]- 299.18640 192.9
[M+Na-2H]- 261.14722 161.3
[M]+ 240.17200 164.8
[M]- 240.17310 164.8
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.