CID 165944597

Tert-butyl 3-(fluorosulfonyl)-4-hydroxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C9H16FNO5S
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)S(=O)(=O)F)O
InChI
InChI=1S/C9H16FNO5S/c1-9(2,3)16-8(13)11-4-6(12)7(5-11)17(10,14)15/h6-7,12H,4-5H2,1-3H3
InChIKey
OGGVMWCKJSGCCD-UHFFFAOYSA-N
Compound name
tert-butyl 3-fluorosulfonyl-4-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.07333 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08061 156.9
[M+Na]+ 292.06255 164.4
[M-H]- 268.06605 156.8
[M+NH4]+ 287.10715 173.9
[M+K]+ 308.03649 163.2
[M+H-H2O]+ 252.07059 151.7
[M+HCOO]- 314.07153 167.8
[M+CH3COO]- 328.08718 188.5
[M+Na-2H]- 290.04800 157.1
[M]+ 269.07278 158.5
[M]- 269.07388 158.5
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.