CID 229075

2,5-diaminopyrimidine

Structural Information

Molecular Formula

C₄H₆N₄

SMILES

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

InChI

InChI=1S/C4H6N4/c5-3-1-7-4(6)8-2-3/h1-2H,5H2,(H2,6,7,8)

InChIKey

DNACGYGXUFTEHO-UHFFFAOYSA-N

Compound name

pyrimidine-2,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 412
Patents: 110.05925 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]+	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