CID 14406027

Brn 4424280

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

CC1=NN=C2N1C3=CC=CC=C3OC2

InChI

InChI=1S/C10H9N3O/c1-7-11-12-10-6-14-9-5-3-2-4-8(9)13(7)10/h2-5H,6H2,1H3

InChIKey

HXPUKFXPIGCNEQ-UHFFFAOYSA-N

Compound name

1-methyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.07455 Da
Monoisotopic Mass: 1.1
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]+	188.08183	137.8
[M+Na]+	210.06377	148.7
[M-H]-	186.06727	140.2
[M+NH4]+	205.10837	156.3
[M+K]+	226.03771	146.2
[M+H-H2O]+	170.07181	129.8
[M+HCOO]-	232.07275	156.4
[M+CH3COO]-	246.08840	151.2
[M+Na-2H]-	208.04922	146.7
[M]+	187.07400	139.3
[M]-	187.07510	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe