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: 1
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]+	192.10192	140.6
[M+Na]+	214.08386	148.1
[M-H]-	190.08736	143.0
[M+NH4]+	209.12846	158.1
[M+K]+	230.05780	146.2
[M+H-H2O]+	174.09190	134.2
[M+HCOO]-	236.09284	157.4
[M+CH3COO]-	250.10849	181.9
[M+Na-2H]-	212.06931	146.8
[M]+	191.09409	138.8
[M]-	191.09519	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe