CID 3098099

3-methyl-2-(pyridin-2-ylformamido)butanoic acid

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC(C)C(C(=O)O)NC(=O)C1=CC=CC=N1
InChI
InChI=1S/C11H14N2O3/c1-7(2)9(11(15)16)13-10(14)8-5-3-4-6-12-8/h3-7,9H,1-2H3,(H,13,14)(H,15,16)
InChIKey
TZRRISNEOUTNSA-UHFFFAOYSA-N
Compound name
3-methyl-2-(pyridine-2-carbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.10045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 149.8
[M+Na]+ 245.089668 154.5
[M-H]- 221.093174 150.5
[M+NH4]+ 240.134273 165.2
[M+K]+ 261.063608 153.5
[M+H-H2O]+ 205.097710 142.7
[M+HCOO]- 267.098651 169.1
[M+CH3COO]- 281.114301 189.6
[M+Na-2H]- 243.075116 152.0
[M]+ 222.09990142 148.6
[M]- 222.10099858 148.6
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

patents stripe