CID 2794640

699-04-7

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CC1=CC=C(C=C1)CNC

InChI

InChI=1S/C9H13N/c1-8-3-5-9(6-4-8)7-10-2/h3-6,10H,7H2,1-2H3

InChIKey

YDFFIGRIWDSNOZ-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-methylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 598
Patents: 135.1048 Da
Monoisotopic Mass: 1.8
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]+	136.11208	127.3
[M+Na]+	158.09402	134.9
[M-H]-	134.09752	131.2
[M+NH4]+	153.13862	149.3
[M+K]+	174.06796	133.0
[M+H-H2O]+	118.10206	121.8
[M+HCOO]-	180.10300	153.0
[M+CH3COO]-	194.11865	177.3
[M+Na-2H]-	156.07947	135.3
[M]+	135.10425	126.9
[M]-	135.10535	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe