CID 54775311

1255306-29-6

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

C1C(CN1)C2=NC=CC=N2

InChI

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

InChIKey

DEXFWXDNNACYDB-UHFFFAOYSA-N

Compound name

2-(azetidin-3-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
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]+	136.086926	124.9
[M+Na]+	158.068868	131.6
[M-H]-	134.072374	125.7
[M+NH4]+	153.113473	135.4
[M+K]+	174.042808	131.8
[M+H-H2O]+	118.076910	111.7
[M+HCOO]-	180.077851	143.0
[M+CH3COO]-	194.093501	172.9
[M+Na-2H]-	156.054316	133.5
[M]+	135.07910142	129.6
[M]-	135.08019858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe