CID 7071

3,3'-diaminobenzidine

Structural Information

Molecular Formula
C12H14N4
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N)N)N)N
InChI
InChI=1S/C12H14N4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H,13-16H2
InChIKey
HSTOKWSFWGCZMH-UHFFFAOYSA-N
Compound name
4-(3,4-diaminophenyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1502
References

33453
Patents

214.12184 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 147.4
[M+Na]+ 237.111058 155.5
[M-H]- 213.114564 153.5
[M+NH4]+ 232.155663 164.4
[M+K]+ 253.084998 150.8
[M+H-H2O]+ 197.119100 140.1
[M+HCOO]- 259.120041 174.0
[M+CH3COO]- 273.135691 198.8
[M+Na-2H]- 235.096506 151.0
[M]+ 214.12129142 140.9
[M]- 214.12238858 140.9
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