CID 79608

4,6-diaminopyrimidine

Structural Information

Molecular Formula

C₄H₆N₄

SMILES

C1=C(N=CN=C1N)N

InChI

InChI=1S/C4H6N4/c5-3-1-4(6)8-2-7-3/h1-2H,(H4,5,6,7,8)

InChIKey

MISVBCMQSJUHMH-UHFFFAOYSA-N

Compound name

pyrimidine-4,6-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 4815
Patents: 110.05925 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]+	111.06653	117.7
[M+Na]+	133.04847	129.4
[M+NH4]+	128.09307	125.7
[M+K]+	149.02241	124.6
[M-H]-	109.05197	119.7
[M+Na-2H]-	131.03392	125.1
[M]+	110.05870	119.6
[M]-	110.05980	119.6

Literature stripe

literature stripe

Patent stripe

patents stripe