CID 417395

2-amino-3-(pyrimidin-2-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

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

InChI

InChI=1S/C7H9N3O2/c8-5(7(11)12)4-6-9-2-1-3-10-6/h1-3,5H,4,8H2,(H,11,12)

InChIKey

XCNOBDDQOATTBY-UHFFFAOYSA-N

Compound name

2-amino-3-pyrimidin-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 167.06947 Da
Monoisotopic Mass: -3.1
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]+	168.07675	134.3
[M+Na]+	190.05869	141.0
[M-H]-	166.06219	133.5
[M+NH4]+	185.10329	150.5
[M+K]+	206.03263	139.3
[M+H-H2O]+	150.06673	126.9
[M+HCOO]-	212.06767	154.5
[M+CH3COO]-	226.08332	177.2
[M+Na-2H]-	188.04414	140.1
[M]+	167.06892	131.8
[M]-	167.07002	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe