CID 59418317

5-(azetidin-3-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

C1C(CN1)C2=CN=CN=C2

InChI

InChI=1S/C7H9N3/c1-6(2-8-1)7-3-9-5-10-4-7/h3-6,8H,1-2H2

InChIKey

LLDMTOBIYCDPNG-UHFFFAOYSA-N

Compound name

5-(azetidin-3-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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