CID 299355

36724-74-0

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC(C(=O)O)NC(=O)C1=CN=CC=C1
InChI
InChI=1S/C9H10N2O3/c1-6(9(13)14)11-8(12)7-3-2-4-10-5-7/h2-6H,1H3,(H,11,12)(H,13,14)
InChIKey
BXXVFSAYKXAKAO-UHFFFAOYSA-N
Compound name
2-(pyridine-3-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

194.06914 Da
Monoisotopic Mass

0.0
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

No literature data available for this compound.

Patent stripe

patents stripe