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: 1
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]+	188.081826	137.8
[M+Na]+	210.063768	148.7
[M-H]-	186.067274	140.2
[M+NH4]+	205.108373	156.3
[M+K]+	226.037708	146.2
[M+H-H2O]+	170.071810	129.8
[M+HCOO]-	232.072751	156.4
[M+CH3COO]-	246.088401	151.2
[M+Na-2H]-	208.049216	146.7
[M]+	187.07400142	139.3
[M]-	187.07509858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe