CID 56188

91132-80-8

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CC(C)C1NC(=O)C2=CC=CC=C2O1

InChI

InChI=1S/C11H13NO2/c1-7(2)11-12-10(13)8-5-3-4-6-9(8)14-11/h3-7,11H,1-2H3,(H,12,13)

InChIKey

ITSWJRRWFLDUEY-UHFFFAOYSA-N

Compound name

2-propan-2-yl-2,3-dihydro-1,3-benzoxazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.09464 Da
Monoisotopic Mass: 2.4
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]+	192.101916	140.6
[M+Na]+	214.083858	148.1
[M-H]-	190.087364	143.0
[M+NH4]+	209.128463	158.1
[M+K]+	230.057798	146.2
[M+H-H2O]+	174.091900	134.2
[M+HCOO]-	236.092841	157.4
[M+CH3COO]-	250.108491	181.9
[M+Na-2H]-	212.069306	146.8
[M]+	191.09409142	138.8
[M]-	191.09518858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe