CID 88423

3,3-dimethyl-1-(o-tolyl)triazene

Structural Information

Molecular Formula
C9H13N3
SMILES
CC1=CC=CC=C1N=NN(C)C
InChI
InChI=1S/C9H13N3/c1-8-6-4-5-7-9(8)10-11-12(2)3/h4-7H,1-3H3
InChIKey
NHMGJBOPOUILBE-UHFFFAOYSA-N
Compound name
N-methyl-N-[(2-methylphenyl)diazenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

163.11095 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.118226 134.0
[M+Na]+ 186.100168 141.1
[M-H]- 162.103674 142.1
[M+NH4]+ 181.144773 156.1
[M+K]+ 202.074108 141.8
[M+H-H2O]+ 146.108210 126.7
[M+HCOO]- 208.109151 165.3
[M+CH3COO]- 222.124801 194.4
[M+Na-2H]- 184.085616 142.6
[M]+ 163.11040142 136.3
[M]- 163.11149858 136.3
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