CID 11672965

3,3-diaminobenzidine tetrahydrochloride

Structural Information

Molecular Formula
C12H16N4
SMILES
C1C(=CC=C(C1(N)N)N)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H16N4/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15,16)7-9/h1-6H,7,13-16H2
InChIKey
HJFCVJKLGPYQDB-UHFFFAOYSA-N
Compound name
5-(4-aminophenyl)cyclohexa-2,4-diene-1,1,2-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4727
Patents

216.1375 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 147.4
[M+Na]+ 239.12672 154.6
[M-H]- 215.13022 152.9
[M+NH4]+ 234.17132 166.0
[M+K]+ 255.10066 150.3
[M+H-H2O]+ 199.13476 140.6
[M+HCOO]- 261.13570 172.6
[M+CH3COO]- 275.15135 197.5
[M+Na-2H]- 237.11217 151.9
[M]+ 216.13695 139.4
[M]- 216.13805 139.4
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