CID 10081113

80420-88-8

Structural Information

Molecular Formula
C11H11N3
SMILES
C1=CC(=C(C=C1C2=CC=NC=C2)N)N
InChI
InChI=1S/C11H11N3/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8/h1-7H,12-13H2
InChIKey
BOZAGTUANUIVTL-UHFFFAOYSA-N
Compound name
4-pyridin-4-ylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

185.09529 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.102566 139.0
[M+Na]+ 208.084508 147.4
[M-H]- 184.088014 144.1
[M+NH4]+ 203.129113 156.6
[M+K]+ 224.058448 143.0
[M+H-H2O]+ 168.092550 131.3
[M+HCOO]- 230.093491 164.0
[M+CH3COO]- 244.109141 152.1
[M+Na-2H]- 206.069956 146.2
[M]+ 185.09474142 135.1
[M]- 185.09583858 135.1
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