CID 63335329

1-(oxolan-3-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1COCC1N2C(=CC=N2)N

InChI

InChI=1S/C7H11N3O/c8-7-1-3-9-10(7)6-2-4-11-5-6/h1,3,6H,2,4-5,8H2

InChIKey

BNUMHWPXAWWQCB-UHFFFAOYSA-N

Compound name

2-(oxolan-3-yl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.09021 Da
Monoisotopic Mass: -0.2
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]+	154.09749	129.9
[M+Na]+	176.07943	137.3
[M-H]-	152.08293	134.3
[M+NH4]+	171.12403	149.8
[M+K]+	192.05337	137.1
[M+H-H2O]+	136.08747	122.5
[M+HCOO]-	198.08841	152.4
[M+CH3COO]-	212.10406	143.5
[M+Na-2H]-	174.06488	134.0
[M]+	153.08966	127.0
[M]-	153.09076	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe