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

3
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 127.8
[M+Na]+ 172.048128 139.6
[M-H]- 148.051634 126.9
[M+NH4]+ 167.092733 147.1
[M+K]+ 188.022068 135.6
[M+H-H2O]+ 132.056170 121.1
[M+HCOO]- 194.057111 148.4
[M+CH3COO]- 208.072761 141.5
[M+Na-2H]- 170.033576 136.1
[M]+ 149.05836142 128.1
[M]- 149.05945858 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

patents stripe