CID 15187833

5-(benzyloxy)-1h-pyrazol-3-amine

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

C1=CC=C(C=C1)COC2=NNC(=C2)N

InChI

InChI=1S/C10H11N3O/c11-9-6-10(13-12-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,11,12,13)

InChIKey

DPMPAHAAODHNKV-UHFFFAOYSA-N

Compound name

3-phenylmethoxy-1H-pyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 189.09021 Da
Monoisotopic Mass: 1.7
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]+	190.09749	138.7
[M+Na]+	212.07943	146.6
[M-H]-	188.08293	141.3
[M+NH4]+	207.12403	156.1
[M+K]+	228.05337	142.8
[M+H-H2O]+	172.08747	130.6
[M+HCOO]-	234.08841	161.8
[M+CH3COO]-	248.10406	151.3
[M+Na-2H]-	210.06488	144.8
[M]+	189.08966	136.5
[M]-	189.09076	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe