CID 155819956

2470438-54-9

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

CS(=N)(=O)CCC1CC(C1)O

InChI

InChI=1S/C7H15NO2S/c1-11(8,10)3-2-6-4-7(9)5-6/h6-9H,2-5H2,1H3

InChIKey

XGOPBSJCOHDKTK-UHFFFAOYSA-N

Compound name

3-[2-(methylsulfonimidoyl)ethyl]cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.08235 Da
Monoisotopic Mass: 1.4
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]+	178.089626	135.3
[M+Na]+	200.071568	139.6
[M-H]-	176.075074	137.1
[M+NH4]+	195.116173	148.1
[M+K]+	216.045508	140.3
[M+H-H2O]+	160.079610	124.2
[M+HCOO]-	222.080551	150.0
[M+CH3COO]-	236.096201	181.4
[M+Na-2H]-	198.057016	137.6
[M]+	177.08180142	143.0
[M]-	177.08289858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.