CID 167030

2,4,6-trimethylphenylazide

Structural Information

Molecular Formula
C9H11N3
SMILES
CC1=CC(=C(C(=C1)C)N=[N+]=[N-])C
InChI
InChI=1S/C9H11N3/c1-6-4-7(2)9(11-12-10)8(3)5-6/h4-5H,1-3H3
InChIKey
YNOHHRQEKATAMQ-UHFFFAOYSA-N
Compound name
2-azido-1,3,5-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
Patents

161.09529 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10257 131.7
[M+Na]+ 184.08451 140.7
[M-H]- 160.08801 138.9
[M+NH4]+ 179.12911 153.5
[M+K]+ 200.05845 134.7
[M+H-H2O]+ 144.09255 130.2
[M+HCOO]- 206.09349 163.1
[M+CH3COO]- 220.10914 184.8
[M+Na-2H]- 182.06996 141.2
[M]+ 161.09474 130.9
[M]- 161.09584 130.9
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