CID 162345395

5,6-dimethyl-2h-benzotriazole-4,7-diol

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CC1=C(C2=NNN=C2C(=C1C)O)O
InChI
InChI=1S/C8H9N3O2/c1-3-4(2)8(13)6-5(7(3)12)9-11-10-6/h12-13H,1-2H3,(H,9,10,11)
InChIKey
PAEOZVYAOUPGHN-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2H-benzotriazole-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 136.7
[M+Na]+ 202.058688 149.4
[M-H]- 178.062194 135.1
[M+NH4]+ 197.103293 154.7
[M+K]+ 218.032628 144.8
[M+H-H2O]+ 162.066730 130.6
[M+HCOO]- 224.067671 155.6
[M+CH3COO]- 238.083321 149.9
[M+Na-2H]- 200.044136 142.5
[M]+ 179.06892142 137.8
[M]- 179.07001858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.