CID 89867

4,4'-ethylenedi-3-toluidine

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1=C(C=CC(=C1)N)CCC2=C(C=C(C=C2)N)C
InChI
InChI=1S/C16H20N2/c1-11-9-15(17)7-5-13(11)3-4-14-6-8-16(18)10-12(14)2/h5-10H,3-4,17-18H2,1-2H3
InChIKey
ISESBQNCWCFFFR-UHFFFAOYSA-N
Compound name
4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

819
Patents

240.16264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 157.8
[M+Na]+ 263.15186 165.8
[M-H]- 239.15536 164.2
[M+NH4]+ 258.19646 175.1
[M+K]+ 279.12580 160.7
[M+H-H2O]+ 223.15990 150.4
[M+HCOO]- 285.16084 182.3
[M+CH3COO]- 299.17649 201.3
[M+Na-2H]- 261.13731 160.5
[M]+ 240.16209 155.9
[M]- 240.16319 155.9
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