CID 67088923

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

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1COCC1C2=CC(=NN2)N

InChI

InChI=1S/C7H11N3O/c8-7-3-6(9-10-7)5-1-2-11-4-5/h3,5H,1-2,4H2,(H3,8,9,10)

InChIKey

IFFLWHXSAKIHCW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 153.09021 Da
Monoisotopic Mass: -0.1
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	130.5
[M+Na]+	176.07943	137.4
[M-H]-	152.08293	133.5
[M+NH4]+	171.12403	149.6
[M+K]+	192.05337	136.3
[M+H-H2O]+	136.08747	123.3
[M+HCOO]-	198.08841	151.4
[M+CH3COO]-	212.10406	143.4
[M+Na-2H]-	174.06488	134.1
[M]+	153.08966	125.7
[M]-	153.09076	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe