CID 74980

2,4-diethyl-6-methylbenzene-1,3-diamine

Structural Information

Molecular Formula
C11H18N2
SMILES
CCC1=C(C(=C(C(=C1)C)N)CC)N
InChI
InChI=1S/C11H18N2/c1-4-8-6-7(3)10(12)9(5-2)11(8)13/h6H,4-5,12-13H2,1-3H3
InChIKey
PISLZQACAJMAIO-UHFFFAOYSA-N
Compound name
2,4-diethyl-6-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24238
Patents

178.147 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 141.0
[M+Na]+ 201.13622 152.9
[M+NH4]+ 196.18082 149.6
[M+K]+ 217.11016 146.4
[M-H]- 177.13972 144.7
[M+Na-2H]- 199.12167 146.8
[M]+ 178.14645 143.6
[M]- 178.14755 143.6
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