CID 12467041

4525-48-8

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1=CC=CC=C1CN(C)C

InChI

InChI=1S/C10H15N/c1-9-6-4-5-7-10(9)8-11(2)3/h4-7H,8H2,1-3H3

InChIKey

IDKBVYHLNSAKTG-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-(2-methylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 551
Patents: 149.12045 Da
Monoisotopic Mass: 2.3
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]+	150.127726	131.8
[M+Na]+	172.109668	139.1
[M-H]-	148.113174	137.1
[M+NH4]+	167.154273	153.9
[M+K]+	188.083608	138.4
[M+H-H2O]+	132.117710	125.9
[M+HCOO]-	194.118651	157.6
[M+CH3COO]-	208.134301	183.9
[M+Na-2H]-	170.095116	138.5
[M]+	149.11990142	133.0
[M]-	149.12099858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe