CID 54408

Ethylenediamine, n,n-diethyl-n'-(o-tolyl)-

Structural Information

Molecular Formula
C13H22N2
SMILES
CCN(CC)CCNC1=CC=CC=C1C
InChI
InChI=1S/C13H22N2/c1-4-15(5-2)11-10-14-13-9-7-6-8-12(13)3/h6-9,14H,4-5,10-11H2,1-3H3
InChIKey
LSRBLTAIHHJVFI-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(2-methylphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.1783 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.18558 150.4
[M+Na]+ 229.16752 155.4
[M-H]- 205.17102 154.9
[M+NH4]+ 224.21212 169.7
[M+K]+ 245.14146 153.9
[M+H-H2O]+ 189.17556 143.2
[M+HCOO]- 251.17650 176.1
[M+CH3COO]- 265.19215 197.8
[M+Na-2H]- 227.15297 155.5
[M]+ 206.17775 151.9
[M]- 206.17885 151.9
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