CID 17039370

14002-11-0

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

CC(CN)(C1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C9H12ClNO/c1-9(12,6-11)7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3

InChIKey

HQYNVCFWWOMLMF-UHFFFAOYSA-N

Compound name

1-amino-2-(4-chlorophenyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 185.06075 Da
Monoisotopic Mass: 0.9
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]+	186.068026	138.6
[M+Na]+	208.049968	146.9
[M-H]-	184.053474	140.7
[M+NH4]+	203.094573	158.4
[M+K]+	224.023908	142.6
[M+H-H2O]+	168.058010	134.5
[M+HCOO]-	230.058951	156.2
[M+CH3COO]-	244.074601	180.2
[M+Na-2H]-	206.035416	145.0
[M]+	185.06020142	138.2
[M]-	185.06129858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe