CID 22476051

5-(aminomethyl)pyrimidine-2-carbonitrile hydrochloride

Structural Information

Molecular Formula

C₆H₆N₄

SMILES

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

InChI

InChI=1S/C6H6N4/c7-1-5-3-9-6(2-8)10-4-5/h3-4H,1,7H2

InChIKey

KSWGPGWIHUIGJM-UHFFFAOYSA-N

Compound name

5-(aminomethyl)pyrimidine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 134.05925 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]+	135.06653	129.8
[M+Na]+	157.04847	141.7
[M+NH4]+	152.09307	134.2
[M+K]+	173.02241	132.8
[M-H]-	133.05197	124.0
[M+Na-2H]-	155.03392	134.2
[M]+	134.05870	128.8
[M]-	134.05980	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe