CID 75525835

1-(dimethylcarbamoyl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H10ClNO3S
SMILES
CC(C(=O)N(C)C)S(=O)(=O)Cl
InChI
InChI=1S/C5H10ClNO3S/c1-4(11(6,9)10)5(8)7(2)3/h4H,1-3H3
InChIKey
QBHOJSGSVGKIPZ-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-1-oxopropane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.00699 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.014266 135.8
[M+Na]+ 221.996208 143.8
[M-H]- 197.999714 138.3
[M+NH4]+ 217.040813 156.7
[M+K]+ 237.970148 142.8
[M+H-H2O]+ 182.004250 132.2
[M+HCOO]- 244.005191 149.2
[M+CH3COO]- 258.020841 184.8
[M+Na-2H]- 219.981656 137.9
[M]+ 199.00644142 141.4
[M]- 199.00753858 141.4
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.