CID 675093

62134-49-0

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1=CC=NC(=C1)NC(=O)CCC(=O)O
InChI
InChI=1S/C9H10N2O3/c12-8(4-5-9(13)14)11-7-3-1-2-6-10-7/h1-3,6H,4-5H2,(H,13,14)(H,10,11,12)
InChIKey
BQTOWQQIWDSOTG-UHFFFAOYSA-N
Compound name
4-oxo-4-(pyridin-2-ylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

37
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 140.5
[M+Na]+ 217.058358 146.5
[M-H]- 193.061864 141.2
[M+NH4]+ 212.102963 157.1
[M+K]+ 233.032298 144.8
[M+H-H2O]+ 177.066400 133.4
[M+HCOO]- 239.067341 162.3
[M+CH3COO]- 253.082991 181.7
[M+Na-2H]- 215.043806 146.1
[M]+ 194.06859142 139.7
[M]- 194.06968858 139.7
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