CID 3053392

69846-01-1

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

CC(C)(CN)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H14ClNO/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6H,7,12H2,1-2H3

InChIKey

VGROYBHHIYOVMO-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-2-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.07639 Da
Monoisotopic Mass: 2.2
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]+	200.08367	142.9
[M+Na]+	222.06561	151.2
[M-H]-	198.06911	146.2
[M+NH4]+	217.11021	162.9
[M+K]+	238.03955	147.5
[M+H-H2O]+	182.07365	138.3
[M+HCOO]-	244.07459	161.6
[M+CH3COO]-	258.09024	185.8
[M+Na-2H]-	220.05106	149.2
[M]+	199.07584	144.8
[M]-	199.07694	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe