CID 10980453

149108-74-7

Structural Information

Molecular Formula
C11H16F3NO5S
SMILES
CC(C)(C)OC(=O)N1CCCC(=C1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C11H16F3NO5S/c1-10(2,3)19-9(16)15-6-4-5-8(7-15)20-21(17,18)11(12,13)14/h7H,4-6H2,1-3H3
InChIKey
ZRKPIWQNLHUKOY-UHFFFAOYSA-N
Compound name
tert-butyl 5-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

331.07013 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07741 167.8
[M+Na]+ 354.05935 174.4
[M-H]- 330.06285 165.8
[M+NH4]+ 349.10395 180.7
[M+K]+ 370.03329 173.0
[M+H-H2O]+ 314.06739 159.5
[M+HCOO]- 376.06833 175.2
[M+CH3COO]- 390.08398 201.0
[M+Na-2H]- 352.04480 170.4
[M]+ 331.06958 167.7
[M]- 331.07068 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe