CID 28773414

2-(diethylsulfamoyl)acetic acid

Structural Information

Molecular Formula
C6H13NO4S
SMILES
CCN(CC)S(=O)(=O)CC(=O)O
InChI
InChI=1S/C6H13NO4S/c1-3-7(4-2)12(10,11)5-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKey
JUQFLZWEOLQRQO-UHFFFAOYSA-N
Compound name
2-(diethylsulfamoyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05653 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06381 139.4
[M+Na]+ 218.04575 145.8
[M-H]- 194.04925 139.8
[M+NH4]+ 213.09035 158.6
[M+K]+ 234.01969 145.6
[M+H-H2O]+ 178.05379 134.2
[M+HCOO]- 240.05473 156.5
[M+CH3COO]- 254.07038 183.2
[M+Na-2H]- 216.03120 141.9
[M]+ 195.05598 143.7
[M]- 195.05708 143.7
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.