CID 137945237

2287312-89-2

Structural Information

Molecular Formula
C8H17NO4S
SMILES
CC(C)(C)NC(=O)CCCS(=O)(=O)O
InChI
InChI=1S/C8H17NO4S/c1-8(2,3)9-7(10)5-4-6-14(11,12)13/h4-6H2,1-3H3,(H,9,10)(H,11,12,13)
InChIKey
PYWVSOHIHGKSFI-UHFFFAOYSA-N
Compound name
4-(tert-butylamino)-4-oxobutane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08783 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09511 151.9
[M+Na]+ 246.07705 157.7
[M+NH4]+ 241.12165 156.5
[M+K]+ 262.05099 154.0
[M-H]- 222.08055 147.8
[M+Na-2H]- 244.06250 151.8
[M]+ 223.08728 151.6
[M]- 223.08838 151.6
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.