CID 10397426

140681-92-1

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1=CC(=O)NC=C1C[C@@H](C(=O)O)N
InChI
InChI=1S/C8H10N2O3/c9-6(8(12)13)3-5-1-2-7(11)10-4-5/h1-2,4,6H,3,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKey
YBGXFPUFAGQFCZ-LURJTMIESA-N
Compound name
(2S)-2-amino-3-(6-oxo-1H-pyridin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

123
Patents

182.06914 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 137.0
[M+Na]+ 205.05836 143.9
[M-H]- 181.06186 136.4
[M+NH4]+ 200.10296 153.4
[M+K]+ 221.03230 141.3
[M+H-H2O]+ 165.06640 130.6
[M+HCOO]- 227.06734 157.0
[M+CH3COO]- 241.08299 177.6
[M+Na-2H]- 203.04381 140.8
[M]+ 182.06859 133.5
[M]- 182.06969 133.5
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