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

8
Patents

206.1783 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.185576 150.4
[M+Na]+ 229.167518 155.4
[M-H]- 205.171024 154.9
[M+NH4]+ 224.212123 169.7
[M+K]+ 245.141458 153.9
[M+H-H2O]+ 189.175560 143.2
[M+HCOO]- 251.176501 176.1
[M+CH3COO]- 265.192151 197.8
[M+Na-2H]- 227.152966 155.5
[M]+ 206.17775142 151.9
[M]- 206.17884858 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