CID 103698107

N-(pent-4-yn-1-yl)methanesulfonamide

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

CS(=O)(=O)NCCCC#C

InChI

InChI=1S/C6H11NO2S/c1-3-4-5-6-7-10(2,8)9/h1,7H,4-6H2,2H3

InChIKey

HWPOWQAUFFRPSS-UHFFFAOYSA-N

Compound name

N-pent-4-ynylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.05106 Da
Monoisotopic Mass: 0.3
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]+	162.05834	137.8
[M+Na]+	184.04028	147.3
[M-H]-	160.04378	138.4
[M+NH4]+	179.08488	156.8
[M+K]+	200.01422	145.8
[M+H-H2O]+	144.04832	127.2
[M+HCOO]-	206.04926	151.2
[M+CH3COO]-	220.06491	185.3
[M+Na-2H]-	182.02573	141.3
[M]+	161.05051	135.2
[M]-	161.05161	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.