CID 101015

59338-86-2

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.07167	142.3
[M+Na]+	230.05361	154.9
[M+NH4]+	225.09821	148.6
[M+K]+	246.02755	152.2
[M-H]-	206.05711	141.2
[M+Na-2H]-	228.03906	147.2
[M]+	207.06384	143.5
[M]-	207.06494	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe