CID 11983472

3-[(pyridin-2-yl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1=CC=NC(=C1)NCCC(=O)O
InChI
InChI=1S/C8H10N2O2/c11-8(12)4-6-10-7-3-1-2-5-9-7/h1-3,5H,4,6H2,(H,9,10)(H,11,12)
InChIKey
IDWUSJOEYZAKSW-UHFFFAOYSA-N
Compound name
3-(pyridin-2-ylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

125
Patents

166.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.6
[M+Na]+ 189.063448 140.1
[M-H]- 165.066954 134.4
[M+NH4]+ 184.108053 151.6
[M+K]+ 205.037388 138.2
[M+H-H2O]+ 149.071490 126.8
[M+HCOO]- 211.072431 156.4
[M+CH3COO]- 225.088081 177.2
[M+Na-2H]- 187.048896 141.1
[M]+ 166.07368142 132.6
[M]- 166.07477858 132.6
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