CID 213487

Picolinic acid, 5-octyl-

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCCCCCCCC1=CN=C(C=C1)C(=O)O
InChI
InChI=1S/C14H21NO2/c1-2-3-4-5-6-7-8-12-9-10-13(14(16)17)15-11-12/h9-11H,2-8H2,1H3,(H,16,17)
InChIKey
TVASHDLWKCMJDO-UHFFFAOYSA-N
Compound name
5-octylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

235.15723 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 157.1
[M+Na]+ 258.14645 168.4
[M+NH4]+ 253.19105 163.7
[M+K]+ 274.12039 161.6
[M-H]- 234.14995 157.5
[M+Na-2H]- 256.13190 161.8
[M]+ 235.15668 158.6
[M]- 235.15778 158.6
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