CID 101015

Methyl 6-methoxy-1h-benzotriazole-5-carboxylate

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

16
Patents

207.06439 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 141.5
[M+Na]+ 230.05361 152.5
[M-H]- 206.05711 141.8
[M+NH4]+ 225.09821 158.9
[M+K]+ 246.02755 150.0
[M+H-H2O]+ 190.06165 134.0
[M+HCOO]- 252.06259 162.5
[M+CH3COO]- 266.07824 181.9
[M+Na-2H]- 228.03906 148.1
[M]+ 207.06384 145.7
[M]- 207.06494 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