CID 853785

Alpha-(2-thiazolylamino)-o-cresol

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

C1=CC=C(C(=C1)CNC2=NC=CS2)O

InChI

InChI=1S/C10H10N2OS/c13-9-4-2-1-3-8(9)7-12-10-11-5-6-14-10/h1-6,13H,7H2,(H,11,12)

InChIKey

FUVLIIWCXQIRQM-UHFFFAOYSA-N

Compound name

2-[(1,3-thiazol-2-ylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 206.05139 Da
Monoisotopic Mass: 2.4
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]+	207.058666	141.2
[M+Na]+	229.040608	149.8
[M-H]-	205.044114	146.0
[M+NH4]+	224.085213	160.3
[M+K]+	245.014548	145.5
[M+H-H2O]+	189.048650	134.4
[M+HCOO]-	251.049591	161.2
[M+CH3COO]-	265.065241	154.3
[M+Na-2H]-	227.026056	145.1
[M]+	206.05084142	141.8
[M]-	206.05193858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe