CID 3041785

Brn 2116113

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

C1CC1NCC(C2=CC(=C(C=C2)O)Cl)O

InChI

InChI=1S/C11H14ClNO2/c12-9-5-7(1-4-10(9)14)11(15)6-13-8-2-3-8/h1,4-5,8,11,13-15H,2-3,6H2

InChIKey

LCXGCEMXCMZRML-UHFFFAOYSA-N

Compound name

2-chloro-4-[2-(cyclopropylamino)-1-hydroxyethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 227.0713 Da
Monoisotopic Mass: 0.2
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]+	228.078576	140.7
[M+Na]+	250.060518	149.6
[M-H]-	226.064024	145.7
[M+NH4]+	245.105123	153.6
[M+K]+	266.034458	144.0
[M+H-H2O]+	210.068560	135.6
[M+HCOO]-	272.069501	158.5
[M+CH3COO]-	286.085151	189.7
[M+Na-2H]-	248.045966	145.3
[M]+	227.07075142	143.3
[M]-	227.07184858	143.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.