CID 135645

3,4'-diamino-4-methyldiphenylmethane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

212.13135 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 148.4
[M+Na]+ 235.12057 156.3
[M-H]- 211.12407 154.8
[M+NH4]+ 230.16517 166.5
[M+K]+ 251.09451 151.6
[M+H-H2O]+ 195.12861 141.2
[M+HCOO]- 257.12955 173.6
[M+CH3COO]- 271.14520 194.0
[M+Na-2H]- 233.10602 153.0
[M]+ 212.13080 145.4
[M]- 212.13190 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

No literature data available for this compound.

Patent stripe

patents stripe