CID 23009094

915882-17-6

Structural Information

Molecular Formula

C₁₁H₁₁NOS

SMILES

C1=CC(=CC(=C1)N)C(C2=CC=CS2)O

InChI

InChI=1S/C11H11NOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7,11,13H,12H2

InChIKey

PCULMMADXLYFKA-UHFFFAOYSA-N

Compound name

(3-aminophenyl)-thiophen-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.05614 Da
Monoisotopic Mass: 1.8
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]+	206.06342	143.2
[M+Na]+	228.04536	151.0
[M-H]-	204.04886	148.8
[M+NH4]+	223.08996	163.3
[M+K]+	244.01930	146.7
[M+H-H2O]+	188.05340	137.3
[M+HCOO]-	250.05434	162.4
[M+CH3COO]-	264.06999	156.1
[M+Na-2H]-	226.03081	144.5
[M]+	205.05559	142.2
[M]-	205.05669	142.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.