CID 55299907

1384264-47-4

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

C1C(CN1)C2=NC=NC=C2

InChI

InChI=1S/C7H9N3/c1-2-8-5-10-7(1)6-3-9-4-6/h1-2,5-6,9H,3-4H2

InChIKey

MHOUSAQYMWHVNZ-UHFFFAOYSA-N

Compound name

4-(azetidin-3-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 135.07965 Da
Monoisotopic Mass: -0.4
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]+	136.08693	123.7
[M+Na]+	158.06887	132.4
[M+NH4]+	153.11347	128.0
[M+K]+	174.04281	128.4
[M-H]-	134.07237	122.8
[M+Na-2H]-	156.05432	129.8
[M]+	135.07910	123.4
[M]-	135.08020	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe