CID 10511282

339195-50-5

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

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

InChI

InChI=1S/C7H9N3O2/c11-6(12)2-5-10-7-8-3-1-4-9-7/h1,3-4H,2,5H2,(H,11,12)(H,8,9,10)

InChIKey

RLUIOCBJPMRKTQ-UHFFFAOYSA-N

Compound name

3-(pyrimidin-2-ylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 167.06947 Da
Monoisotopic Mass: 0.6
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]+	168.07675	133.5
[M+Na]+	190.05869	140.4
[M-H]-	166.06219	133.0
[M+NH4]+	185.10329	150.0
[M+K]+	206.03263	138.6
[M+H-H2O]+	150.06673	125.9
[M+HCOO]-	212.06767	155.3
[M+CH3COO]-	226.08332	176.9
[M+Na-2H]-	188.04414	141.5
[M]+	167.06892	132.5
[M]-	167.07002	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe