CID 542844

1-azido-3-methoxybenzene

Structural Information

Molecular Formula
C7H7N3O
SMILES
COC1=CC=CC(=C1)N=[N+]=[N-]
InChI
InChI=1S/C7H7N3O/c1-11-7-4-2-3-6(5-7)9-10-8/h2-5H,1H3
InChIKey
HVKZQLYQRLHTTQ-UHFFFAOYSA-N
Compound name
1-azido-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
Patents

149.05891 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 126.0
[M+Na]+ 172.04813 133.8
[M-H]- 148.05163 132.7
[M+NH4]+ 167.09273 147.4
[M+K]+ 188.02207 128.7
[M+H-H2O]+ 132.05617 124.1
[M+HCOO]- 194.05711 158.2
[M+CH3COO]- 208.07276 178.5
[M+Na-2H]- 170.03358 137.9
[M]+ 149.05836 125.1
[M]- 149.05946 125.1
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