CID 103438865

3-(cyclopropylamino)phenol

Structural Information

Molecular Formula

SMILES

C1CC1NC2=CC(=CC=C2)O

InChI

InChI=1S/C9H11NO/c11-9-3-1-2-8(6-9)10-7-4-5-7/h1-3,6-7,10-11H,4-5H2

InChIKey

CLLMMWLNILSNMO-UHFFFAOYSA-N

Compound name

3-(cyclopropylamino)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.08406 Da
Monoisotopic Mass: 2.1
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]+	150.09134	131.2
[M+Na]+	172.07328	144.9
[M+NH4]+	167.11788	141.0
[M+K]+	188.04722	139.8
[M-H]-	148.07678	142.1
[M+Na-2H]-	170.05873	142.0
[M]+	149.08351	137.3
[M]-	149.08461	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.