CID 470896

Pyrazine-2-carboxamidine hydrochloride

Structural Information

Molecular Formula

C₅H₆N₄

SMILES

C1=CN=C(C=N1)C(=N)N

InChI

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

InChIKey

CEEVRMDYKKNRAW-UHFFFAOYSA-N

Compound name

pyrazine-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 337
Patents: 122.05925 Da
Monoisotopic Mass: -0.5
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]+	123.06653	122.2
[M+Na]+	145.04847	129.8
[M-H]-	121.05197	123.0
[M+NH4]+	140.09307	140.8
[M+K]+	161.02241	127.9
[M+H-H2O]+	105.05651	114.9
[M+HCOO]-	167.05745	146.2
[M+CH3COO]-	181.07310	173.6
[M+Na-2H]-	143.03392	131.2
[M]+	122.05870	117.9
[M]-	122.05980	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe