CID 110300091

N-butyl-2-methoxyethane-1-sulfonamide

Structural Information

Molecular Formula

C₇H₁₇NO₃S

SMILES

CCCCNS(=O)(=O)CCOC

InChI

InChI=1S/C7H17NO3S/c1-3-4-5-8-12(9,10)7-6-11-2/h8H,3-7H2,1-2H3

InChIKey

UEKQEYRXRYITQB-UHFFFAOYSA-N

Compound name

N-butyl-2-methoxyethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.09291 Da
Monoisotopic Mass: 0.4
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]+	196.10019	142.0
[M+Na]+	218.08213	148.5
[M-H]-	194.08563	142.1
[M+NH4]+	213.12673	161.6
[M+K]+	234.05607	147.1
[M+H-H2O]+	178.09017	136.6
[M+HCOO]-	240.09111	160.4
[M+CH3COO]-	254.10676	183.4
[M+Na-2H]-	216.06758	146.1
[M]+	195.09236	147.2
[M]-	195.09346	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe