CID 65993593

(1-methanesulfonylazetidin-3-yl)methanol

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

CS(=O)(=O)N1CC(C1)CO

InChI

InChI=1S/C5H11NO3S/c1-10(8,9)6-2-5(3-6)4-7/h5,7H,2-4H2,1H3

InChIKey

LVCKHLVESYMEFX-UHFFFAOYSA-N

Compound name

(1-methylsulfonylazetidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 165.04596 Da
Monoisotopic Mass: -1.1
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]+	166.053236	128.3
[M+Na]+	188.035178	134.4
[M-H]-	164.038684	129.2
[M+NH4]+	183.079783	140.7
[M+K]+	204.009118	136.0
[M+H-H2O]+	148.043220	117.5
[M+HCOO]-	210.044161	141.9
[M+CH3COO]-	224.059811	175.4
[M+Na-2H]-	186.020626	131.5
[M]+	165.04541142	138.1
[M]-	165.04650858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe