CID 9437044

3-methoxy-n-methyl-benzenepropanamine

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CNCCCC1=CC(=CC=C1)OC

InChI

InChI=1S/C11H17NO/c1-12-8-4-6-10-5-3-7-11(9-10)13-2/h3,5,7,9,12H,4,6,8H2,1-2H3

InChIKey

SQLXQPGYVGSFQK-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 179.13101 Da
Monoisotopic Mass: 2.5
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	140.0
[M+Na]+	202.12023	146.6
[M-H]-	178.12373	143.5
[M+NH4]+	197.16483	160.1
[M+K]+	218.09417	144.7
[M+H-H2O]+	162.12827	133.8
[M+HCOO]-	224.12921	165.2
[M+CH3COO]-	238.14486	185.4
[M+Na-2H]-	200.10568	146.8
[M]+	179.13046	141.7
[M]-	179.13156	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe