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

2310
Patents

192.16264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 146.1
[M+Na]+ 215.15186 154.4
[M-H]- 191.15536 149.5
[M+NH4]+ 210.19646 165.8
[M+K]+ 231.12580 151.0
[M+H-H2O]+ 175.15990 140.3
[M+HCOO]- 237.16084 170.4
[M+CH3COO]- 251.17649 193.6
[M+Na-2H]- 213.13731 148.2
[M]+ 192.16209 145.1
[M]- 192.16319 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