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]+ 223.10773 149.8
[M+Na]+ 245.08967 154.5
[M-H]- 221.09317 150.5
[M+NH4]+ 240.13427 165.2
[M+K]+ 261.06361 153.5
[M+H-H2O]+ 205.09771 142.7
[M+HCOO]- 267.09865 169.1
[M+CH3COO]- 281.11430 189.6
[M+Na-2H]- 243.07512 152.0
[M]+ 222.09990 148.6
[M]- 222.10100 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