CID 42647350

956101-01-2

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

C1=CN2C=C(N=C2N=C1)CCC(=O)O

InChI

InChI=1S/C9H9N3O2/c13-8(14)3-2-7-6-12-5-1-4-10-9(12)11-7/h1,4-6H,2-3H2,(H,13,14)

InChIKey

NJQSQSWSNPCGKB-UHFFFAOYSA-N

Compound name

3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 191.06947 Da
Monoisotopic Mass: 0.9
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]+	192.07675	138.9
[M+Na]+	214.05869	151.5
[M+NH4]+	209.10329	145.7
[M+K]+	230.03263	148.1
[M-H]-	190.06219	138.1
[M+Na-2H]-	212.04414	144.5
[M]+	191.06892	140.2
[M]-	191.07002	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe