CID 139788702

7-methyl-2h-benzotriazol-5-ol

Structural Information

Molecular Formula
C7H7N3O
SMILES
CC1=CC(=CC2=NNN=C12)O
InChI
InChI=1S/C7H7N3O/c1-4-2-5(11)3-6-7(4)9-10-8-6/h2-3,11H,1H3,(H,8,9,10)
InChIKey
VKBLQLFCBLTVFU-UHFFFAOYSA-N
Compound name
7-methyl-2H-benzotriazol-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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 127.8
[M+Na]+ 172.04813 139.6
[M-H]- 148.05163 126.9
[M+NH4]+ 167.09273 147.1
[M+K]+ 188.02207 135.6
[M+H-H2O]+ 132.05617 121.1
[M+HCOO]- 194.05711 148.4
[M+CH3COO]- 208.07276 141.5
[M+Na-2H]- 170.03358 136.1
[M]+ 149.05836 128.1
[M]- 149.05946 128.1
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

No patent data available for this compound.