CID 100646117

N,n,3-trimethyl-2-oxobutane-1-sulfonamide

Structural Information

Molecular Formula
C7H15NO3S
SMILES
CC(C)C(=O)CS(=O)(=O)N(C)C
InChI
InChI=1S/C7H15NO3S/c1-6(2)7(9)5-12(10,11)8(3)4/h6H,5H2,1-4H3
InChIKey
GCTPFDCFESNIQW-UHFFFAOYSA-N
Compound name
N,N,3-trimethyl-2-oxobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

193.07727 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.084546 139.8
[M+Na]+ 216.066488 146.3
[M-H]- 192.069994 141.7
[M+NH4]+ 211.111093 160.0
[M+K]+ 232.040428 146.8
[M+H-H2O]+ 176.074530 134.6
[M+HCOO]- 238.075471 156.9
[M+CH3COO]- 252.091121 187.7
[M+Na-2H]- 214.051936 141.2
[M]+ 193.07672142 144.4
[M]- 193.07781858 144.4
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

patents stripe