CID 6504198

90945-06-5

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

CNCCCOC1=CC=C(C=C1)Cl

InChI

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

InChIKey

HZMWCNCPSPAYGP-UHFFFAOYSA-N

Compound name

3-(4-chlorophenoxy)-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 199.07639 Da
Monoisotopic Mass: 2.4
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	141.3
[M+Na]+	222.06561	154.6
[M+NH4]+	217.11021	150.6
[M+K]+	238.03955	146.5
[M-H]-	198.06911	144.5
[M+Na-2H]-	220.05106	149.0
[M]+	199.07584	144.4
[M]-	199.07694	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe