CID 9794060

2-amidinopyrimidine hydrochloride

Structural Information

Molecular Formula

C₅H₆N₄

SMILES

C1=CN=C(N=C1)C(=N)N

InChI

InChI=1S/C5H6N4/c6-4(7)5-8-2-1-3-9-5/h1-3H,(H3,6,7)

InChIKey

SZSKAHAHBFDQKN-UHFFFAOYSA-N

Compound name

pyrimidine-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 464
Patents: 122.05925 Da
Monoisotopic Mass: -1.1
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]+	123.066526	122.2
[M+Na]+	145.048468	129.8
[M-H]-	121.051974	123.0
[M+NH4]+	140.093073	140.8
[M+K]+	161.022408	127.9
[M+H-H2O]+	105.056510	114.9
[M+HCOO]-	167.057451	146.2
[M+CH3COO]-	181.073101	173.6
[M+Na-2H]-	143.033916	131.2
[M]+	122.05870142	117.9
[M]-	122.05979858	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe