CID 13050639

85732-37-2

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

C1CNCCC12C3=CC=CC=C3NC(=O)O2

InChI

InChI=1S/C12H14N2O2/c15-11-14-10-4-2-1-3-9(10)12(16-11)5-7-13-8-6-12/h1-4,13H,5-8H2,(H,14,15)

InChIKey

NHUBGKMFTPUSRP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 218.10553 Da
Monoisotopic Mass: 1.0
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]+	219.11281	150.4
[M+Na]+	241.09475	162.6
[M+NH4]+	236.13935	160.0
[M+K]+	257.06869	154.3
[M-H]-	217.09825	153.6
[M+Na-2H]-	239.08020	156.3
[M]+	218.10498	153.0
[M]-	218.10608	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe