CID 22326325

2241127-80-8

Structural Information

Molecular Formula

C₇H₉N₃O₃

SMILES

C1=CN=C(NC1=O)CC(C(=O)O)N

InChI

InChI=1S/C7H9N3O3/c8-4(7(12)13)3-5-9-2-1-6(11)10-5/h1-2,4H,3,8H2,(H,12,13)(H,9,10,11)

InChIKey

PMCIWYPDCBJOCD-UHFFFAOYSA-N

Compound name

2-amino-3-(6-oxo-1H-pyrimidin-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 183.06439 Da
Monoisotopic Mass: -4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.07167	136.9
[M+Na]+	206.05361	146.4
[M+NH4]+	201.09821	141.8
[M+K]+	222.02755	143.9
[M-H]-	182.05711	135.2
[M+Na-2H]-	204.03906	140.6
[M]+	183.06384	137.2
[M]-	183.06494	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe