CID 30492

1-methyl-3-p-tolyltriazene

Structural Information

Molecular Formula
C8H11N3
SMILES
CC1=CC=C(C=C1)NN=NC
InChI
InChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)
InChIKey
DNGJVDGPCGXBFF-UHFFFAOYSA-N
Compound name
4-methyl-N-(methyldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

788
Patents

149.09529 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 128.8
[M+Na]+ 172.08451 136.2
[M-H]- 148.08801 135.5
[M+NH4]+ 167.12911 150.7
[M+K]+ 188.05845 135.7
[M+H-H2O]+ 132.09255 121.9
[M+HCOO]- 194.09349 159.9
[M+CH3COO]- 208.10914 187.8
[M+Na-2H]- 170.06996 138.7
[M]+ 149.09474 129.4
[M]- 149.09584 129.4
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