CID 3552889

155514-79-7

Structural Information

Molecular Formula

C₆H₁₃NO₃S

SMILES

CCN(CC)C(=O)S(=O)(=O)C

InChI

InChI=1S/C6H13NO3S/c1-4-7(5-2)6(8)11(3,9)10/h4-5H2,1-3H3

InChIKey

XRFGLFAEBISDIV-UHFFFAOYSA-N

Compound name

N,N-diethyl-1-methylsulfonylformamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 14
Patents: 179.06161 Da
Monoisotopic Mass: 0.1
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]+	180.068886	136.1
[M+Na]+	202.050828	143.4
[M-H]-	178.054334	138.3
[M+NH4]+	197.095433	157.1
[M+K]+	218.024768	143.7
[M+H-H2O]+	162.058870	131.0
[M+HCOO]-	224.059811	154.6
[M+CH3COO]-	238.075461	182.4
[M+Na-2H]-	200.036276	139.0
[M]+	179.06106142	140.8
[M]-	179.06215858	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe