CID 18723391

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

Structural Information

Molecular Formula
C7H15NO3S
SMILES
CC(=O)C(C)(C)S(=O)(=O)N(C)C
InChI
InChI=1S/C7H15NO3S/c1-6(9)7(2,3)12(10,11)8(4)5/h1-5H3
InChIKey
LRJWGSFZZVOUCL-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-oxobutane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.07727 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08455 139.1
[M+Na]+ 216.06649 146.2
[M-H]- 192.06999 141.3
[M+NH4]+ 211.11109 159.4
[M+K]+ 232.04043 146.7
[M+H-H2O]+ 176.07453 134.5
[M+HCOO]- 238.07547 155.7
[M+CH3COO]- 252.09112 187.1
[M+Na-2H]- 214.05194 142.6
[M]+ 193.07672 143.8
[M]- 193.07782 143.8
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

patents stripe