CID 124141706

2094570-65-5

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CC2(C1)CNCC3=CC=CC=C3O2

InChI

InChI=1S/C12H15NO/c1-2-5-11-10(4-1)8-13-9-12(14-11)6-3-7-12/h1-2,4-5,13H,3,6-9H2

InChIKey

SFGRISWHIPIUBZ-UHFFFAOYSA-N

Compound name

spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,1'-cyclobutane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 189.11537 Da
Monoisotopic Mass: 1.8
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]+	190.12265	136.2
[M+Na]+	212.10459	140.8
[M-H]-	188.10809	141.3
[M+NH4]+	207.14919	148.5
[M+K]+	228.07853	143.2
[M+H-H2O]+	172.11263	126.9
[M+HCOO]-	234.11357	151.5
[M+CH3COO]-	248.12922	147.4
[M+Na-2H]-	210.09004	145.0
[M]+	189.11482	137.5
[M]-	189.11592	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe