CID 590941

7-methoxy-1h-1,2,3-benzotriazole

Structural Information

Molecular Formula
C7H7N3O
SMILES
COC1=CC=CC2=NNN=C21
InChI
InChI=1S/C7H7N3O/c1-11-6-4-2-3-5-7(6)9-10-8-5/h2-4H,1H3,(H,8,9,10)
InChIKey
BFBZLCUTOUZMLJ-UHFFFAOYSA-N
Compound name
4-methoxy-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

142
Patents

149.05891 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 126.7
[M+Na]+ 172.048128 138.1
[M-H]- 148.051634 126.8
[M+NH4]+ 167.092733 146.5
[M+K]+ 188.022068 135.0
[M+H-H2O]+ 132.056170 119.4
[M+HCOO]- 194.057111 148.9
[M+CH3COO]- 208.072761 140.8
[M+Na-2H]- 170.033576 136.3
[M]+ 149.05836142 128.5
[M]- 149.05945858 128.5
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