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]+ 200.01427 135.8
[M+Na]+ 221.99621 143.8
[M-H]- 197.99971 138.3
[M+NH4]+ 217.04081 156.7
[M+K]+ 237.97015 142.8
[M+H-H2O]+ 182.00425 132.2
[M+HCOO]- 244.00519 149.2
[M+CH3COO]- 258.02084 184.8
[M+Na-2H]- 219.98166 137.9
[M]+ 199.00644 141.4
[M]- 199.00754 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.