CID 3015620

2,6-diamino-4-(diethylamino)phenol trihydrochloride

Structural Information

Molecular Formula
C10H17N3O
SMILES
CCN(CC)C1=CC(=C(C(=C1)N)O)N
InChI
InChI=1S/C10H17N3O/c1-3-13(4-2)7-5-8(11)10(14)9(12)6-7/h5-6,14H,3-4,11-12H2,1-2H3
InChIKey
KKSFQDNAYJWTCZ-UHFFFAOYSA-N
Compound name
2,6-diamino-4-(diethylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

195.13716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.144436 144.7
[M+Na]+ 218.126378 151.6
[M-H]- 194.129884 148.1
[M+NH4]+ 213.170983 163.3
[M+K]+ 234.100318 149.8
[M+H-H2O]+ 178.134420 138.2
[M+HCOO]- 240.135361 169.9
[M+CH3COO]- 254.151011 194.6
[M+Na-2H]- 216.111826 147.6
[M]+ 195.13661142 142.6
[M]- 195.13770858 142.6
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