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

13
Patents

179.06161 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06889 136.1
[M+Na]+ 202.05083 143.4
[M-H]- 178.05433 138.3
[M+NH4]+ 197.09543 157.1
[M+K]+ 218.02477 143.7
[M+H-H2O]+ 162.05887 131.0
[M+HCOO]- 224.05981 154.6
[M+CH3COO]- 238.07546 182.4
[M+Na-2H]- 200.03628 139.0
[M]+ 179.06106 140.8
[M]- 179.06216 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.