CID 101015

Refchem:157723

Structural Information

Molecular Formula
C9H9N3O3
SMILES
COC1=CC2=NNN=C2C=C1C(=O)OC
InChI
InChI=1S/C9H9N3O3/c1-14-8-4-7-6(10-12-11-7)3-5(8)9(13)15-2/h3-4H,1-2H3,(H,10,11,12)
InChIKey
ZNWDIENXWNBKIM-UHFFFAOYSA-N
Compound name
methyl 6-methoxy-2H-benzotriazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

207.06439 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.071666 141.5
[M+Na]+ 230.053608 152.5
[M-H]- 206.057114 141.8
[M+NH4]+ 225.098213 158.9
[M+K]+ 246.027548 150.0
[M+H-H2O]+ 190.061650 134.0
[M+HCOO]- 252.062591 162.5
[M+CH3COO]- 266.078241 181.9
[M+Na-2H]- 228.039056 148.1
[M]+ 207.06384142 145.7
[M]- 207.06493858 145.7
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

patents stripe