CID 66524891

1955532-03-2

Structural Information

Molecular Formula

C₁₃H₁₆BrNO

SMILES

C1CC2(CCNCC2)OC3=C1C=C(C=C3)Br

InChI

InChI=1S/C13H16BrNO/c14-11-1-2-12-10(9-11)3-4-13(16-12)5-7-15-8-6-13/h1-2,9,15H,3-8H2

InChIKey

MIYSWCGJEOTEKT-UHFFFAOYSA-N

Compound name

6-bromospiro[3,4-dihydrochromene-2,4'-piperidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 281.04153 Da
Monoisotopic Mass: 2.9
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]+	282.048806	158.4
[M+Na]+	304.030748	166.8
[M-H]-	280.034254	164.4
[M+NH4]+	299.075353	177.6
[M+K]+	320.004688	156.1
[M+H-H2O]+	264.038790	157.8
[M+HCOO]-	326.039731	170.3
[M+CH3COO]-	340.055381	170.5
[M+Na-2H]-	302.016196	166.5
[M]+	281.04098142	170.2
[M]-	281.04207858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe