CID 5135042

90945-04-3

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

CC(CC1=CC=C(C=C1)Cl)NOC

InChI

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

InChIKey

HRVTVPQEEYVCLM-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-N-methoxypropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 199.07639 Da
Monoisotopic Mass: 2.9
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]+	200.08367	142.3
[M+Na]+	222.06561	149.8
[M-H]-	198.06911	145.8
[M+NH4]+	217.11021	162.3
[M+K]+	238.03955	146.6
[M+H-H2O]+	182.07365	137.1
[M+HCOO]-	244.07459	162.2
[M+CH3COO]-	258.09024	187.0
[M+Na-2H]-	220.05106	147.8
[M]+	199.07584	145.0
[M]-	199.07694	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe