CID 74979

2,6-diamino-3,5-diethyltoluene

Structural Information

Molecular Formula
C11H18N2
SMILES
CCC1=CC(=C(C(=C1N)C)N)CC
InChI
InChI=1S/C11H18N2/c1-4-8-6-9(5-2)11(13)7(3)10(8)12/h6H,4-5,12-13H2,1-3H3
InChIKey
RQEOBXYYEPMCPJ-UHFFFAOYSA-N
Compound name
4,6-diethyl-2-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

10594
Patents

178.147 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 141.5
[M+Na]+ 201.136218 150.2
[M-H]- 177.139724 145.1
[M+NH4]+ 196.180823 161.8
[M+K]+ 217.110158 147.1
[M+H-H2O]+ 161.144260 135.9
[M+HCOO]- 223.145201 166.1
[M+CH3COO]- 237.160851 190.6
[M+Na-2H]- 199.121666 144.2
[M]+ 178.14645142 140.2
[M]- 178.14754858 140.2
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