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

7
Patents

249.17288 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 161.5
[M+Na]+ 272.16210 166.8
[M-H]- 248.16560 161.5
[M+NH4]+ 267.20670 176.8
[M+K]+ 288.13604 163.3
[M+H-H2O]+ 232.17014 154.0
[M+HCOO]- 294.17108 180.9
[M+CH3COO]- 308.18673 194.5
[M+Na-2H]- 270.14755 164.1
[M]+ 249.17233 164.2
[M]- 249.17343 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