CID 165687849

2742659-23-8

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CN1C(=CC=N1)C2(COC2)N

InChI

InChI=1S/C7H11N3O/c1-10-6(2-3-9-10)7(8)4-11-5-7/h2-3H,4-5,8H2,1H3

InChIKey

RGKZCZIGCORBNH-UHFFFAOYSA-N

Compound name

3-(2-methylpyrazol-3-yl)oxetan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.09021 Da
Monoisotopic Mass: -1.4
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]+	154.097486	127.8
[M+Na]+	176.079428	135.0
[M-H]-	152.082934	132.4
[M+NH4]+	171.124033	141.7
[M+K]+	192.053368	137.7
[M+H-H2O]+	136.087470	116.4
[M+HCOO]-	198.088411	149.0
[M+CH3COO]-	212.104061	179.2
[M+Na-2H]-	174.064876	134.7
[M]+	153.08966142	135.4
[M]-	153.09075858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.