CID 7131410

1052076-92-2

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

C1=CC(=CC=C1OCCCCN)Cl

InChI

InChI=1S/C10H14ClNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,7-8,12H2

InChIKey

VOYYLLGWJSAWRF-UHFFFAOYSA-N

Compound name

4-(4-chlorophenoxy)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
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	142.4
[M+Na]+	222.06561	150.3
[M-H]-	198.06911	145.3
[M+NH4]+	217.11021	162.2
[M+K]+	238.03955	146.1
[M+H-H2O]+	182.07365	137.2
[M+HCOO]-	244.07459	162.7
[M+CH3COO]-	258.09024	185.5
[M+Na-2H]-	220.05106	148.1
[M]+	199.07584	144.7
[M]-	199.07694	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe