CID 4139999

Tert-butyl 3-((methylsulfonyl)oxy)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H19NO5S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)OS(=O)(=O)C
InChI
InChI=1S/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3
InChIKey
KWQRKOSMSFLBTJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1480
Patents

265.0984 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10568 159.7
[M+Na]+ 288.08762 166.5
[M-H]- 264.09112 162.0
[M+NH4]+ 283.13222 177.4
[M+K]+ 304.06156 166.4
[M+H-H2O]+ 248.09566 154.8
[M+HCOO]- 310.09660 172.9
[M+CH3COO]- 324.11225 190.0
[M+Na-2H]- 286.07307 160.9
[M]+ 265.09785 164.3
[M]- 265.09895 164.3
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