CID 33559

N-methyl-4,4'-methylenedianiline

Structural Information

Molecular Formula
C14H16N2
SMILES
CNC1=CC=C(C=C1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C14H16N2/c1-16-14-8-4-12(5-9-14)10-11-2-6-13(15)7-3-11/h2-9,16H,10,15H2,1H3
InChIKey
DEAOXXGXJLMFAS-UHFFFAOYSA-N
Compound name
4-[[4-(methylamino)phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

146
Patents

212.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 147.5
[M+Na]+ 235.12057 154.4
[M-H]- 211.12407 154.0
[M+NH4]+ 230.16517 165.5
[M+K]+ 251.09451 150.0
[M+H-H2O]+ 195.12861 140.1
[M+HCOO]- 257.12955 173.4
[M+CH3COO]- 271.14520 193.5
[M+Na-2H]- 233.10602 153.9
[M]+ 212.13080 145.0
[M]- 212.13190 145.0
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