CID 15801091

2,4-diamino-5-methylphenetole hydrochloride

Structural Information

Molecular Formula
C9H14N2O
SMILES
CCOC1=C(C=C(C(=C1)C)N)N
InChI
InChI=1S/C9H14N2O/c1-3-12-9-4-6(2)7(10)5-8(9)11/h4-5H,3,10-11H2,1-2H3
InChIKey
AYAKPRUPZTWPLK-UHFFFAOYSA-N
Compound name
4-ethoxy-6-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2494
Patents

166.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 135.5
[M+Na]+ 189.099828 144.1
[M-H]- 165.103334 139.1
[M+NH4]+ 184.144433 155.9
[M+K]+ 205.073768 141.9
[M+H-H2O]+ 149.107870 129.7
[M+HCOO]- 211.108811 161.1
[M+CH3COO]- 225.124461 185.3
[M+Na-2H]- 187.085276 140.0
[M]+ 166.11006142 134.5
[M]- 166.11115858 134.5
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