CID 65972493

N-(3-hydroxycyclobutyl)methanesulfonamide

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

CS(=O)(=O)NC1CC(C1)O

InChI

InChI=1S/C5H11NO3S/c1-10(8,9)6-4-2-5(7)3-4/h4-7H,2-3H2,1H3

InChIKey

QKJKNYQMILHGCL-UHFFFAOYSA-N

Compound name

N-(3-hydroxycyclobutyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.04596 Da
Monoisotopic Mass: -0.7
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	128.9
[M+Na]+	188.035178	133.7
[M-H]-	164.038684	130.9
[M+NH4]+	183.079783	142.0
[M+K]+	204.009118	135.3
[M+H-H2O]+	148.043220	117.8
[M+HCOO]-	210.044161	144.3
[M+CH3COO]-	224.059811	177.6
[M+Na-2H]-	186.020626	132.3
[M]+	165.04541142	137.2
[M]-	165.04650858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.