CID 3287412

26893-39-0

Structural Information

Molecular Formula

C₄H₉N₃

SMILES

C1CNC(=NC1)N

InChI

InChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)

InChIKey

PEHDFSFYZKSKGH-UHFFFAOYSA-N

Compound name

1,4,5,6-tetrahydropyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 927
Patents: 99.07965 Da
Monoisotopic Mass: -1.0
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]+	100.08693	118.2
[M+Na]+	122.06887	128.7
[M+NH4]+	117.11347	126.4
[M+K]+	138.04281	123.6
[M-H]-	98.072374	119.2
[M+Na-2H]-	120.05432	124.1
[M]+	99.079101	119.6
[M]-	99.080199	119.6

Literature stripe

literature stripe

Patent stripe

patents stripe