CID 356600

1,2,4-benzotriazine, 3-methoxy-, 1,4-dioxide

Structural Information

Molecular Formula

C₈H₇N₃O₃

SMILES

COC1=NN(C2=CC=CC=C2[N+]1=O)[O-]

InChI

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

InChIKey

NNBPABPFLQDNJX-UHFFFAOYSA-N

Compound name

3-methoxy-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 193.04874 Da
Monoisotopic Mass: 0.4
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	136.0
[M+Na]+	216.03796	152.7
[M+NH4]+	211.08256	143.7
[M+K]+	232.01190	148.7
[M-H]-	192.04146	137.6
[M+Na-2H]-	214.02341	142.8
[M]+	193.04819	138.8
[M]-	193.04929	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe