CID 60056869

(1-cyanocyclobutyl)methyl methanesulfonate

Structural Information

Molecular Formula

C₇H₁₁NO₃S

SMILES

CS(=O)(=O)OCC1(CCC1)C#N

InChI

InChI=1S/C7H11NO3S/c1-12(9,10)11-6-7(5-8)3-2-4-7/h2-4,6H2,1H3

InChIKey

VJKGIRCOUCEJMQ-UHFFFAOYSA-N

Compound name

(1-cyanocyclobutyl)methyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 189.04596 Da
Monoisotopic Mass: 0.2
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]+	190.05324	133.6
[M+Na]+	212.03518	138.2
[M+NH4]+	207.07978	135.2
[M+K]+	228.00912	130.5
[M-H]-	188.03868	123.8
[M+Na-2H]-	210.02063	134.4
[M]+	189.04541	130.0
[M]-	189.04651	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe