CID 138005720

2241129-22-4

Structural Information

Molecular Formula

C₁₂H₁₄BrNO₂

SMILES

C1COCCC12CNC3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C12H14BrNO2/c13-9-1-2-11-10(7-9)14-8-12(16-11)3-5-15-6-4-12/h1-2,7,14H,3-6,8H2

InChIKey

HNMYGYZCDDADST-UHFFFAOYSA-N

Compound name

6-bromospiro[3,4-dihydro-1,4-benzoxazine-2,4'-oxane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.02078 Da
Monoisotopic Mass: 2.6
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]+	284.028056	157.1
[M+Na]+	306.009998	165.8
[M-H]-	282.013504	163.8
[M+NH4]+	301.054603	174.9
[M+K]+	321.983938	157.0
[M+H-H2O]+	266.018040	156.5
[M+HCOO]-	328.018981	168.5
[M+CH3COO]-	342.034631	169.5
[M+Na-2H]-	303.995446	166.4
[M]+	283.02023142	170.5
[M]-	283.02132858	170.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.