CID 737208

4-amino-5-pyrimidinecarbonitrile

Structural Information

Molecular Formula

C₅H₄N₄

SMILES

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

InChI

InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)

InChIKey

JAIYUIOGVNRXEW-UHFFFAOYSA-N

Compound name

4-aminopyrimidine-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 335
Patents: 120.043594 Da
Monoisotopic Mass: 0.1
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]+	121.05087	121.1
[M+Na]+	143.03281	131.4
[M-H]-	119.03632	121.2
[M+NH4]+	138.07742	138.1
[M+K]+	159.00675	129.6
[M+H-H2O]+	103.04085	107.3
[M+HCOO]-	165.04180	140.8
[M+CH3COO]-	179.05744	184.4
[M+Na-2H]-	141.01826	129.3
[M]+	120.04305	114.0
[M]-	120.04414	114.0

Literature stripe

literature stripe

Patent stripe

patents stripe