CID 129319685

2095411-12-2

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC1=C(C(=NC=C1)NC(=O)C(C)(C)C)C(=O)O
InChI
InChI=1S/C12H16N2O3/c1-7-5-6-13-9(8(7)10(15)16)14-11(17)12(2,3)4/h5-6H,1-4H3,(H,15,16)(H,13,14,17)
InChIKey
GNSBDOJNKJPTND-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpropanoylamino)-4-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 153.8
[M+Na]+ 259.10531 163.5
[M+NH4]+ 254.14991 159.1
[M+K]+ 275.07925 160.4
[M-H]- 235.10881 152.9
[M+Na-2H]- 257.09076 157.5
[M]+ 236.11554 154.6
[M]- 236.11664 154.6
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

No patent data available for this compound.