CID 85248

3-methyl-1-phenyltriazene

Structural Information

Molecular Formula
C7H9N3
SMILES
CN=NNC1=CC=CC=C1
InChI
InChI=1S/C7H9N3/c1-8-10-9-7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)
InChIKey
MPEZFYGMDYORDA-UHFFFAOYSA-N
Compound name
N-(methyldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

79
Patents

135.07965 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08693 123.9
[M+Na]+ 158.06887 130.8
[M-H]- 134.07237 130.5
[M+NH4]+ 153.11347 146.1
[M+K]+ 174.04281 130.5
[M+H-H2O]+ 118.07691 117.0
[M+HCOO]- 180.07785 155.4
[M+CH3COO]- 194.09350 183.7
[M+Na-2H]- 156.05432 135.2
[M]+ 135.07910 123.9
[M]- 135.08020 123.9
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.