CID 19880800

1-(1-phenyl-1h-1,2,3-triazol-4-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CC(C1=CN(N=N1)C2=CC=CC=C2)O

InChI

InChI=1S/C10H11N3O/c1-8(14)10-7-13(12-11-10)9-5-3-2-4-6-9/h2-8,14H,1H3

InChIKey

FQVMGHGOWXLPQW-UHFFFAOYSA-N

Compound name

1-(1-phenyltriazol-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 189.09021 Da
Monoisotopic Mass: 0.9
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	140.1
[M+Na]+	212.07943	148.6
[M-H]-	188.08293	141.9
[M+NH4]+	207.12403	156.6
[M+K]+	228.05337	145.5
[M+H-H2O]+	172.08747	131.5
[M+HCOO]-	234.08841	160.3
[M+CH3COO]-	248.10406	152.5
[M+Na-2H]-	210.06488	145.3
[M]+	189.08966	139.4
[M]-	189.09076	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe