CID 39522

5-isopentylpicolinic acid

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C)CCC1=CN=C(C=C1)C(=O)O
InChI
InChI=1S/C11H15NO2/c1-8(2)3-4-9-5-6-10(11(13)14)12-7-9/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKey
MXBGCRRAUSJALE-UHFFFAOYSA-N
Compound name
5-(3-methylbutyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.6
[M+Na]+ 216.09950 155.2
[M+NH4]+ 211.14410 150.6
[M+K]+ 232.07344 149.9
[M-H]- 192.10300 143.9
[M+Na-2H]- 214.08495 148.8
[M]+ 193.10973 145.1
[M]- 193.11083 145.1
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.