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

4845
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.