CID 2779729

125867-31-4

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC(C)(C)C(=O)NC1=C(C=NC=C1)C(=O)O
InChI
InChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKey
UHGXHDOYHCDENE-UHFFFAOYSA-N
Compound name
4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.10045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.2
[M+Na]+ 245.08967 155.9
[M-H]- 221.09317 150.4
[M+NH4]+ 240.13427 165.3
[M+K]+ 261.06361 154.3
[M+H-H2O]+ 205.09771 142.9
[M+HCOO]- 267.09865 168.9
[M+CH3COO]- 281.11430 188.6
[M+Na-2H]- 243.07512 153.9
[M]+ 222.09990 149.1
[M]- 222.10100 149.1
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