CID 11535911

6-(benzyloxy)-1h-indazole

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=NN3

InChI

InChI=1S/C14H12N2O/c1-2-4-11(5-3-1)10-17-13-7-6-12-9-15-16-14(12)8-13/h1-9H,10H2,(H,15,16)

InChIKey

PMKBUGNQHOFKQS-UHFFFAOYSA-N

Compound name

6-phenylmethoxy-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 224.09496 Da
Monoisotopic Mass: 3.7
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]+	225.10224	148.9
[M+Na]+	247.08418	164.6
[M+NH4]+	242.12878	158.0
[M+K]+	263.05812	157.9
[M-H]-	223.08768	152.8
[M+Na-2H]-	245.06963	158.8
[M]+	224.09441	152.3
[M]-	224.09551	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe