CID 43272352

6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)CN(C)C1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H16N2O2/c1-8(2)7-13(3)10-5-4-9(6-12-10)11(14)15/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKey
QWAQJSRQHWLZCI-UHFFFAOYSA-N
Compound name
6-[methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.12119 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 147.1
[M+Na]+ 231.110408 153.1
[M-H]- 207.113914 149.4
[M+NH4]+ 226.155013 164.3
[M+K]+ 247.084348 152.5
[M+H-H2O]+ 191.118450 140.0
[M+HCOO]- 253.119391 168.4
[M+CH3COO]- 267.135041 191.8
[M+Na-2H]- 229.095856 150.2
[M]+ 208.12064142 148.2
[M]- 208.12173858 148.2
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