CID 109919432

2169920-32-3

Structural Information

Molecular Formula

C₉H₁₉NO₃S

SMILES

CCS(=O)(=O)NC1CCC(CC1)CO

InChI

InChI=1S/C9H19NO3S/c1-2-14(12,13)10-9-5-3-8(7-11)4-6-9/h8-11H,2-7H2,1H3

InChIKey

MSOSHVSGOMLQGD-UHFFFAOYSA-N

Compound name

N-[4-(hydroxymethyl)cyclohexyl]ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 221.10857 Da
Monoisotopic Mass: 0.5
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]+	222.11585	148.0
[M+Na]+	244.09779	152.5
[M-H]-	220.10129	149.3
[M+NH4]+	239.14239	165.7
[M+K]+	260.07173	149.9
[M+H-H2O]+	204.10583	142.5
[M+HCOO]-	266.10677	161.8
[M+CH3COO]-	280.12242	184.6
[M+Na-2H]-	242.08324	150.3
[M]+	221.10802	146.0
[M]-	221.10912	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe