CID 54485910

150018-64-7

Structural Information

Molecular Formula
C6H12N2O4S
SMILES
COC(=O)[C@@H]1CCCN1S(=O)(=O)N
InChI
InChI=1S/C6H12N2O4S/c1-12-6(9)5-3-2-4-8(5)13(7,10)11/h5H,2-4H2,1H3,(H2,7,10,11)/t5-/m0/s1
InChIKey
XSGWELHIWGRDPM-YFKPBYRVSA-N
Compound name
methyl (2S)-1-sulfamoylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

208.05177 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05905 142.9
[M+Na]+ 231.04099 150.2
[M-H]- 207.04449 144.8
[M+NH4]+ 226.08559 162.0
[M+K]+ 247.01493 149.3
[M+H-H2O]+ 191.04903 137.4
[M+HCOO]- 253.04997 158.9
[M+CH3COO]- 267.06562 181.1
[M+Na-2H]- 229.02644 143.9
[M]+ 208.05122 143.4
[M]- 208.05232 143.4
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