CID 71668602

2-hydroxy-6-(2-methylpropyl)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC(C)CC1=CC(=CC(=O)N1)C(=O)O
InChI
InChI=1S/C10H13NO3/c1-6(2)3-8-4-7(10(13)14)5-9(12)11-8/h4-6H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
QQAKUTQSHWHIMV-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

195.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 140.6
[M+Na]+ 218.07876 148.6
[M-H]- 194.08226 140.7
[M+NH4]+ 213.12336 157.6
[M+K]+ 234.05270 145.9
[M+H-H2O]+ 178.08680 134.7
[M+HCOO]- 240.08774 159.6
[M+CH3COO]- 254.10339 180.4
[M+Na-2H]- 216.06421 143.5
[M]+ 195.08899 140.1
[M]- 195.09009 140.1
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

patents stripe