CID 28207329

1604399-66-7

Structural Information

Molecular Formula
C5H12N2O4S
SMILES
CC(C)[C@H](C(=O)O)NS(=O)(=O)N
InChI
InChI=1S/C5H12N2O4S/c1-3(2)4(5(8)9)7-12(6,10)11/h3-4,7H,1-2H3,(H,8,9)(H2,6,10,11)/t4-/m1/s1
InChIKey
IIRKLFOBJZBWGF-SCSAIBSYSA-N
Compound name
(2R)-3-methyl-2-(sulfamoylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05177 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05905 141.2
[M+Na]+ 219.04099 145.5
[M+NH4]+ 214.08559 145.6
[M+K]+ 235.01493 143.8
[M-H]- 195.04449 137.4
[M+Na-2H]- 217.02644 140.6
[M]+ 196.05122 140.5
[M]- 196.05232 140.5
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.