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

56
Patents

194.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 140.7
[M+Na]+ 217.05836 146.5
[M-H]- 193.06186 141.6
[M+NH4]+ 212.10296 157.2
[M+K]+ 233.03230 145.4
[M+H-H2O]+ 177.06640 133.8
[M+HCOO]- 239.06734 161.6
[M+CH3COO]- 253.08299 182.6
[M+Na-2H]- 215.04381 145.1
[M]+ 194.06859 139.3
[M]- 194.06969 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