CID 23654

1-phenyl-3,3-dimethyltriazene

Structural Information

Molecular Formula
C8H11N3
SMILES
CN(C)N=NC1=CC=CC=C1
InChI
InChI=1S/C8H11N3/c1-11(2)10-9-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
LLROQAGEAVDYFP-UHFFFAOYSA-N
Compound name
N-methyl-N-phenyldiazenylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

50
References

501
Patents

149.09529 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 129.4
[M+Na]+ 172.08451 136.0
[M-H]- 148.08801 137.3
[M+NH4]+ 167.12911 151.7
[M+K]+ 188.05845 136.9
[M+H-H2O]+ 132.09255 122.1
[M+HCOO]- 194.09349 161.0
[M+CH3COO]- 208.10914 190.2
[M+Na-2H]- 170.06996 139.3
[M]+ 149.09474 131.0
[M]- 149.09584 131.0
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