CID 101018

59338-92-0

Structural Information

Molecular Formula

C₈H₇N₃O₃

SMILES

COC1=CC2=NNN=C2C=C1C(=O)O

InChI

InChI=1S/C8H7N3O3/c1-14-7-3-6-5(9-11-10-6)2-4(7)8(12)13/h2-3H,1H3,(H,12,13)(H,9,10,11)

InChIKey

GILWQWDMFSVMCL-UHFFFAOYSA-N

Compound name

6-methoxy-2H-benzotriazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 193.04874 Da
Monoisotopic Mass: 0.5
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]+	194.05602	138.2
[M+Na]+	216.03796	150.4
[M+NH4]+	211.08256	144.2
[M+K]+	232.01190	148.2
[M-H]-	192.04146	136.5
[M+Na-2H]-	214.02341	142.7
[M]+	193.04819	139.1
[M]-	193.04929	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe