CID 75004

1-azido-4-methoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

223
Patents

149.05891 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 127.3
[M+Na]+ 172.04813 141.1
[M+NH4]+ 167.09273 136.8
[M+K]+ 188.02207 135.8
[M-H]- 148.05163 133.3
[M+Na-2H]- 170.03358 136.4
[M]+ 149.05836 130.8
[M]- 149.05946 130.8
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