CID 35417

23580-89-4

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CNCCCC1=CC=CC=C1

InChI

InChI=1S/C10H15N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3

InChIKey

MLHBZVFOTDJTPK-UHFFFAOYSA-N

Compound name

N-methyl-3-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1050
Patents: 149.12045 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]+	150.12773	133.0
[M+Na]+	172.10967	145.5
[M+NH4]+	167.15427	142.6
[M+K]+	188.08361	137.5
[M-H]-	148.11317	136.7
[M+Na-2H]-	170.09512	141.3
[M]+	149.11990	135.8
[M]-	149.12100	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe