CID 577494

1-azido-2-methoxybenzene

Structural Information

Molecular Formula
C7H7N3O
SMILES
COC1=CC=CC=C1N=[N+]=[N-]
InChI
InChI=1S/C7H7N3O/c1-11-7-5-3-2-4-6(7)9-10-8/h2-5H,1H3
InChIKey
XBXJQBGKICADKR-UHFFFAOYSA-N
Compound name
1-azido-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

149.05891 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 126.0
[M+Na]+ 172.048128 133.8
[M-H]- 148.051634 132.7
[M+NH4]+ 167.092733 147.4
[M+K]+ 188.022068 128.7
[M+H-H2O]+ 132.056170 124.1
[M+HCOO]- 194.057111 158.2
[M+CH3COO]- 208.072761 178.5
[M+Na-2H]- 170.033576 137.9
[M]+ 149.05836142 125.1
[M]- 149.05945858 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