CID 361874

Nsc625196

Structural Information

Molecular Formula

SMILES

COC1CC(C1)(C#N)Br

InChI

InChI=1S/C6H8BrNO/c1-9-5-2-6(7,3-5)4-8/h5H,2-3H2,1H3

InChIKey

MMBDJVYDKLFTAF-UHFFFAOYSA-N

Compound name

1-bromo-3-methoxycyclobutane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.97893 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]+	189.98621	115.2
[M+Na]+	211.96815	127.7
[M-H]-	187.97165	120.8
[M+NH4]+	207.01275	132.7
[M+K]+	227.94209	121.6
[M+H-H2O]+	171.97619	106.8
[M+HCOO]-	233.97713	134.7
[M+CH3COO]-	247.99278	194.8
[M+Na-2H]-	209.95360	124.5
[M]+	188.97838	134.9
[M]-	188.97948	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.