CID 55299071

1361118-73-1

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

CC1=NC(=NC=C1)C2CNC2

InChI

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

InChIKey

RDVZHTNFOGEUOV-UHFFFAOYSA-N

Compound name

2-(azetidin-3-yl)-4-methylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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]+	150.102566	130.4
[M+Na]+	172.084508	137.5
[M-H]-	148.088014	131.4
[M+NH4]+	167.129113	140.6
[M+K]+	188.058448	137.5
[M+H-H2O]+	132.092550	117.2
[M+HCOO]-	194.093491	148.1
[M+CH3COO]-	208.109141	176.8
[M+Na-2H]-	170.069956	137.6
[M]+	149.09474142	135.8
[M]-	149.09583858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe