CID 83815089

2413874-80-1

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CN1C=CC(=N1)C2CNC2

InChI

InChI=1S/C7H11N3/c1-10-3-2-7(9-10)6-4-8-5-6/h2-3,6,8H,4-5H2,1H3

InChIKey

HODGRELOINJOML-UHFFFAOYSA-N

Compound name

3-(azetidin-3-yl)-1-methylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 137.09529 Da
Monoisotopic Mass: -0.3
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]+	138.10257	125.9
[M+Na]+	160.08451	133.0
[M+NH4]+	155.12911	129.9
[M+K]+	176.05845	131.4
[M-H]-	136.08801	124.2
[M+Na-2H]-	158.06996	129.8
[M]+	137.09474	125.0
[M]-	137.09584	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe