CID 71721

Tazolol

Structural Information

Molecular Formula

C₉H₁₆N₂O₂S

SMILES

CC(C)NCC(COC1=NC=CS1)O

InChI

InChI=1S/C9H16N2O2S/c1-7(2)11-5-8(12)6-13-9-10-3-4-14-9/h3-4,7-8,11-12H,5-6H2,1-2H3

InChIKey

DREVJBVJBRSSDL-UHFFFAOYSA-N

Compound name

1-(propan-2-ylamino)-3-(1,3-thiazol-2-yloxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 450
Patents: 216.09325 Da
Monoisotopic Mass: 1.0
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]+	217.100526	148.6
[M+Na]+	239.082468	154.2
[M-H]-	215.085974	149.4
[M+NH4]+	234.127073	167.0
[M+K]+	255.056408	152.5
[M+H-H2O]+	199.090510	141.8
[M+HCOO]-	261.091451	165.2
[M+CH3COO]-	275.107101	185.8
[M+Na-2H]-	237.067916	148.9
[M]+	216.09270142	150.9
[M]-	216.09379858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe