CID 11651290

(1-benzyl-1h-1,2,3-triazol-4-yl)methanol

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

C1=CC=C(C=C1)CN2C=C(N=N2)CO

InChI

InChI=1S/C10H11N3O/c14-8-10-7-13(12-11-10)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2

InChIKey

SXNXKULRKDCYLM-UHFFFAOYSA-N

Compound name

(1-benzyltriazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 62
Patents: 189.09021 Da
Monoisotopic Mass: 0.4
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	140.9
[M+Na]+	212.07943	154.2
[M+NH4]+	207.12403	148.4
[M+K]+	228.05337	149.6
[M-H]-	188.08293	142.5
[M+Na-2H]-	210.06488	149.0
[M]+	189.08966	143.1
[M]-	189.09076	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe