CID 16228214

79858-46-1

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

C1=CN=C(N=C1)NCC(=O)O

InChI

InChI=1S/C6H7N3O2/c10-5(11)4-9-6-7-2-1-3-8-6/h1-3H,4H2,(H,10,11)(H,7,8,9)

InChIKey

CHJBSLXUNSLXIN-UHFFFAOYSA-N

Compound name

2-(pyrimidin-2-ylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 153.05383 Da
Monoisotopic Mass: 0.1
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]+	154.06111	129.5
[M+Na]+	176.04305	140.5
[M+NH4]+	171.08765	136.1
[M+K]+	192.01699	136.1
[M-H]-	152.04655	129.4
[M+Na-2H]-	174.02850	135.8
[M]+	153.05328	130.6
[M]-	153.05438	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe