CID 14094168

1,3-benzenediamine, 2,4,6-triethyl-

Structural Information

Molecular Formula
C12H20N2
SMILES
CCC1=CC(=C(C(=C1N)CC)N)CC
InChI
InChI=1S/C12H20N2/c1-4-8-7-9(5-2)12(14)10(6-3)11(8)13/h7H,4-6,13-14H2,1-3H3
InChIKey
JGYUBHGXADMAQU-UHFFFAOYSA-N
Compound name
2,4,6-triethylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2589
Patents

192.16264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.169916 146.1
[M+Na]+ 215.151858 154.4
[M-H]- 191.155364 149.5
[M+NH4]+ 210.196463 165.8
[M+K]+ 231.125798 151.0
[M+H-H2O]+ 175.159900 140.3
[M+HCOO]- 237.160841 170.4
[M+CH3COO]- 251.176491 193.6
[M+Na-2H]- 213.137306 148.2
[M]+ 192.16209142 145.1
[M]- 192.16318858 145.1
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