CID 29894756

20218-51-3

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1=CC=CC=C1[C@H](C)NC

InChI

InChI=1S/C10H15N/c1-8-6-4-5-7-10(8)9(2)11-3/h4-7,9,11H,1-3H3/t9-/m0/s1

InChIKey

ZQVYRJXZAWZERP-VIFPVBQESA-N

Compound name

(1S)-N-methyl-1-(2-methylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 149.12045 Da
Monoisotopic Mass: 2.1
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	132.9
[M+Na]+	172.10967	145.6
[M+NH4]+	167.15427	142.5
[M+K]+	188.08361	138.6
[M-H]-	148.11317	136.5
[M+Na-2H]-	170.09512	140.7
[M]+	149.11990	135.8
[M]-	149.12100	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.