CID 90105

3,3-dimethyl-1-(p-iodophenyl)triazene

Structural Information

Molecular Formula
C8H10IN3
SMILES
CN(C)N=NC1=CC=C(C=C1)I
InChI
InChI=1S/C8H10IN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
YONGWAYQQVMIBR-UHFFFAOYSA-N
Compound name
N-[(4-iodophenyl)diazenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

274.99194 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.999216 147.5
[M+Na]+ 297.981158 147.6
[M-H]- 273.984664 148.2
[M+NH4]+ 293.025763 164.1
[M+K]+ 313.955098 153.8
[M+H-H2O]+ 257.989200 136.5
[M+HCOO]- 319.990141 173.0
[M+CH3COO]- 334.005791 202.0
[M+Na-2H]- 295.966606 143.3
[M]+ 274.99139142 146.7
[M]- 274.99248858 146.7
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

No patent data available for this compound.