CID 12035113

4-azido-1,2-dimethoxybenzene

Structural Information

Molecular Formula
C8H9N3O2
SMILES
COC1=C(C=C(C=C1)N=[N+]=[N-])OC
InChI
InChI=1S/C8H9N3O2/c1-12-7-4-3-6(10-11-9)5-8(7)13-2/h3-5H,1-2H3
InChIKey
AYAUGIRPNJJDLZ-UHFFFAOYSA-N
Compound name
4-azido-1,2-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

179.06947 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 133.9
[M+Na]+ 202.058688 142.1
[M-H]- 178.062194 140.8
[M+NH4]+ 197.103293 154.4
[M+K]+ 218.032628 137.2
[M+H-H2O]+ 162.066730 131.7
[M+HCOO]- 224.067671 166.0
[M+CH3COO]- 238.083321 184.7
[M+Na-2H]- 200.044136 144.7
[M]+ 179.06892142 135.0
[M]- 179.07001858 135.0
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