CID 81493

N,n'-ethylenedi-m-toluidine

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1=CC(=CC=C1)NCCNC2=CC=CC(=C2)C
InChI
InChI=1S/C16H20N2/c1-13-5-3-7-15(11-13)17-9-10-18-16-8-4-6-14(2)12-16/h3-8,11-12,17-18H,9-10H2,1-2H3
InChIKey
WXEZZUDLDARSKV-UHFFFAOYSA-N
Compound name
N,N'-bis(3-methylphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

240.16264 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 156.1
[M+Na]+ 263.151858 162.1
[M-H]- 239.155364 162.7
[M+NH4]+ 258.196463 173.2
[M+K]+ 279.125798 157.6
[M+H-H2O]+ 223.159900 148.2
[M+HCOO]- 285.160841 181.9
[M+CH3COO]- 299.176491 200.1
[M+Na-2H]- 261.137306 162.5
[M]+ 240.16209142 155.3
[M]- 240.16318858 155.3
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