CID 82354741

1367920-58-8

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

C1CCC2(C1)C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C12H13NO2/c14-11-12(7-3-4-8-12)15-10-6-2-1-5-9(10)13-11/h1-2,5-6H,3-4,7-8H2,(H,13,14)

InChIKey

OFCMGUBYJRDPAE-UHFFFAOYSA-N

Compound name

spiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.09464 Da
Monoisotopic Mass: 1.9
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]+	204.101916	143.2
[M+Na]+	226.083858	150.6
[M-H]-	202.087364	147.4
[M+NH4]+	221.128463	163.8
[M+K]+	242.057798	147.6
[M+H-H2O]+	186.091900	136.7
[M+HCOO]-	248.092841	160.0
[M+CH3COO]-	262.108491	155.4
[M+Na-2H]-	224.069306	149.7
[M]+	203.09409142	138.3
[M]-	203.09518858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.