CID 3782589

Methyl 1-hydroxy-1h-1,2,3-benzotriazole-6-carboxylate

Structural Information

Molecular Formula
C8H7N3O3
SMILES
COC(=O)C1=CC2=C(C=C1)N=NN2O
InChI
InChI=1S/C8H7N3O3/c1-14-8(12)5-2-3-6-7(4-5)11(13)10-9-6/h2-4,13H,1H3
InChIKey
OJPXUYCYQVRBHG-UHFFFAOYSA-N
Compound name
methyl 3-hydroxybenzotriazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04874 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.056016 136.8
[M+Na]+ 216.037958 148.4
[M-H]- 192.041464 137.3
[M+NH4]+ 211.082563 154.8
[M+K]+ 232.011898 146.1
[M+H-H2O]+ 176.046000 129.6
[M+HCOO]- 238.046941 158.2
[M+CH3COO]- 252.062591 179.0
[M+Na-2H]- 214.023406 144.0
[M]+ 193.04819142 140.7
[M]- 193.04928858 140.7
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.