CID 66589252

Tert-butyl 3-sulfamoylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H18N2O4S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)N
InChI
InChI=1S/C9H18N2O4S/c1-9(2,3)15-8(12)11-5-4-7(6-11)16(10,13)14/h7H,4-6H2,1-3H3,(H2,10,13,14)
InChIKey
AGBDEMSPPIPSGR-UHFFFAOYSA-N
Compound name
tert-butyl 3-sulfamoylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

250.09872 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10600 156.6
[M+Na]+ 273.08794 163.0
[M-H]- 249.09144 158.4
[M+NH4]+ 268.13254 174.3
[M+K]+ 289.06188 162.0
[M+H-H2O]+ 233.09598 151.4
[M+HCOO]- 295.09692 170.1
[M+CH3COO]- 309.11257 189.3
[M+Na-2H]- 271.07339 157.5
[M]+ 250.09817 157.5
[M]- 250.09927 157.5
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

patents stripe