CID 590941

4-methoxy-1h-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

148
Patents

149.05891 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 127.2
[M+Na]+ 172.04813 141.1
[M+NH4]+ 167.09273 135.4
[M+K]+ 188.02207 136.9
[M-H]- 148.05163 127.5
[M+Na-2H]- 170.03358 134.3
[M]+ 149.05836 129.2
[M]- 149.05946 129.2
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