CID 115051750

Tert-butyl 4-((fluorosulfonyl)methyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H20FNO4S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CS(=O)(=O)F
InChI
InChI=1S/C11H20FNO4S/c1-11(2,3)17-10(14)13-6-4-9(5-7-13)8-18(12,15)16/h9H,4-8H2,1-3H3
InChIKey
UYAGDJINCUAKSL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(fluorosulfonylmethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1097 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11698 161.6
[M+Na]+ 304.09892 167.1
[M-H]- 280.10242 161.7
[M+NH4]+ 299.14352 176.6
[M+K]+ 320.07286 165.6
[M+H-H2O]+ 264.10696 154.9
[M+HCOO]- 326.10790 171.0
[M+CH3COO]- 340.12355 194.0
[M+Na-2H]- 302.08437 162.7
[M]+ 281.10915 161.7
[M]- 281.11025 161.7
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.