CID 54056935

3-(benzyloxy)-1h-pyrazole

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1=CC=C(C=C1)COC2=CC=NN2

InChI

InChI=1S/C10H10N2O/c1-2-4-9(5-3-1)8-13-10-6-7-11-12-10/h1-7H,8H2,(H,11,12)

InChIKey

LWXHLNHAYCDUGT-UHFFFAOYSA-N

Compound name

5-phenylmethoxy-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 174.07932 Da
Monoisotopic Mass: 2.0
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]+	175.08660	135.1
[M+Na]+	197.06854	142.9
[M-H]-	173.07204	137.8
[M+NH4]+	192.11314	153.3
[M+K]+	213.04248	139.6
[M+H-H2O]+	157.07658	127.1
[M+HCOO]-	219.07752	157.7
[M+CH3COO]-	233.09317	148.1
[M+Na-2H]-	195.05399	142.3
[M]+	174.07877	134.1
[M]-	174.07987	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe