CID 212528

Picolinic acid, 5-nonyl-

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCCCCCCCC1=CN=C(C=C1)C(=O)O
InChI
InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-8-9-13-10-11-14(15(17)18)16-12-13/h10-12H,2-9H2,1H3,(H,17,18)
InChIKey
OLPRJBJYKDZBKG-UHFFFAOYSA-N
Compound name
5-nonylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

249.17288 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 161.5
[M+Na]+ 272.162098 166.8
[M-H]- 248.165604 161.5
[M+NH4]+ 267.206703 176.8
[M+K]+ 288.136038 163.3
[M+H-H2O]+ 232.170140 154.0
[M+HCOO]- 294.171081 180.9
[M+CH3COO]- 308.186731 194.5
[M+Na-2H]- 270.147546 164.1
[M]+ 249.17233142 164.2
[M]- 249.17342858 164.2
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

patents stripe