CID 45080054

Pyrimidine-5-carboxamidine hydrochloride

Structural Information

Molecular Formula

C₅H₆N₄

SMILES

C1=C(C=NC=N1)C(=N)N

InChI

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

InChIKey

KYPREUXQEYJYPR-UHFFFAOYSA-N

Compound name

pyrimidine-5-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 122.05925 Da
Monoisotopic Mass: -0.8
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	121.9
[M+Na]+	145.04847	133.0
[M+NH4]+	140.09307	129.5
[M+K]+	161.02241	128.2
[M-H]-	121.05197	123.5
[M+Na-2H]-	143.03392	129.3
[M]+	122.05870	123.6
[M]-	122.05980	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe