CID 29891218

(2s)-2-[(pyridin-2-yl)formamido]propanoic acid

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C[C@@H](C(=O)O)NC(=O)C1=CC=CC=N1
InChI
InChI=1S/C9H10N2O3/c1-6(9(13)14)11-8(12)7-4-2-3-5-10-7/h2-6H,1H3,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKey
PDGMKIQFTNALCB-LURJTMIESA-N
Compound name
(2S)-2-(pyridine-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.06914 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 140.7
[M+Na]+ 217.058358 146.5
[M-H]- 193.061864 141.6
[M+NH4]+ 212.102963 157.2
[M+K]+ 233.032298 145.4
[M+H-H2O]+ 177.066400 133.8
[M+HCOO]- 239.067341 161.6
[M+CH3COO]- 253.082991 182.6
[M+Na-2H]- 215.043806 145.1
[M]+ 194.06859142 139.3
[M]- 194.06968858 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe