CID 199108

3706-28-3

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

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

InChI

InChI=1S/C11H17NO/c1-9-4-6-11(7-5-9)8-10(2)12-13-3/h4-7,10,12H,8H2,1-3H3

InChIKey

JWHUSNIQOQESKF-UHFFFAOYSA-N

Compound name

N-methoxy-1-(4-methylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 179.13101 Da
Monoisotopic Mass: 2.6
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]+	180.13829	140.6
[M+Na]+	202.12023	152.6
[M+NH4]+	197.16483	149.4
[M+K]+	218.09417	145.9
[M-H]-	178.12373	143.6
[M+Na-2H]-	200.10568	147.6
[M]+	179.13046	143.1
[M]-	179.13156	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe