CID 15734713

1-(tert-butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine

Structural Information

Molecular Formula
C17H25NO5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H25NO5S/c1-13-5-7-15(8-6-13)24(20,21)23-14-9-11-18(12-10-14)16(19)22-17(2,3)4/h5-8,14H,9-12H2,1-4H3
InChIKey
IKOMRHLHPZAEMV-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

730
Patents

355.14536 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15264 182.0
[M+Na]+ 378.13458 186.8
[M-H]- 354.13808 186.6
[M+NH4]+ 373.17918 193.8
[M+K]+ 394.10852 184.7
[M+H-H2O]+ 338.14262 174.5
[M+HCOO]- 400.14356 192.3
[M+CH3COO]- 414.15921 208.4
[M+Na-2H]- 376.12003 183.2
[M]+ 355.14481 184.7
[M]- 355.14591 184.7
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