CID 59418301

Schembl1740287

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

CC1=CN=C(N=C1)C2CNC2

InChI

InChI=1S/C8H11N3/c1-6-2-10-8(11-3-6)7-4-9-5-7/h2-3,7,9H,4-5H2,1H3

InChIKey

XBBPFAVAVRGIPB-UHFFFAOYSA-N

Compound name

2-(azetidin-3-yl)-5-methylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 149.09529 Da
Monoisotopic Mass: 0.0
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]+	150.10257	128.5
[M+Na]+	172.08451	137.4
[M+NH4]+	167.12911	132.7
[M+K]+	188.05845	133.3
[M-H]-	148.08801	127.7
[M+Na-2H]-	170.06996	134.1
[M]+	149.09474	128.3
[M]-	149.09584	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe