CID 3017526

4-[(4-aminophenyl)methyl]-2-methylaniline

Structural Information

Molecular Formula
C14H16N2
SMILES
CC1=C(C=CC(=C1)CC2=CC=C(C=C2)N)N
InChI
InChI=1S/C14H16N2/c1-10-8-12(4-7-14(10)16)9-11-2-5-13(15)6-3-11/h2-8H,9,15-16H2,1H3
InChIKey
AFEORBFSJSJGDW-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)methyl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

212.13135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 148.4
[M+Na]+ 235.120568 156.3
[M-H]- 211.124074 154.8
[M+NH4]+ 230.165173 166.5
[M+K]+ 251.094508 151.6
[M+H-H2O]+ 195.128610 141.2
[M+HCOO]- 257.129551 173.6
[M+CH3COO]- 271.145201 194.0
[M+Na-2H]- 233.106016 153.0
[M]+ 212.13080142 145.4
[M]- 212.13189858 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe