CID 68958

4-aminopyrimidine

Structural Information

Molecular Formula

C₄H₅N₃

SMILES

C1=CN=CN=C1N

InChI

InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)

InChIKey

OYRRZWATULMEPF-UHFFFAOYSA-N

Compound name

pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 77
References: 15754
Patents: 95.04835 Da
Monoisotopic Mass: -0.2
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]+	96.055626	114.4
[M+Na]+	118.037568	123.2
[M-H]-	94.041074	115.2
[M+NH4]+	113.082173	134.6
[M+K]+	134.011508	121.9
[M+H-H2O]+	78.045610	107.6
[M+HCOO]-	140.046551	138.5
[M+CH3COO]-	154.062201	165.7
[M+Na-2H]-	116.023016	124.9
[M]+	95.04780142	111.8
[M]-	95.04889858	111.8

Literature stripe

literature stripe

Patent stripe

patents stripe