CID 10642851

1-(tert-butoxycarbonyl)-4-[(p-toluenesulfonyloxy)methyl]piperidine

Structural Information

Molecular Formula
C18H27NO5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H27NO5S/c1-14-5-7-16(8-6-14)25(21,22)23-13-15-9-11-19(12-10-15)17(20)24-18(2,3)4/h5-8,15H,9-13H2,1-4H3
InChIKey
DARTVAOOTJKHQW-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

832
Patents

369.16098 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16826 186.4
[M+Na]+ 392.15020 190.7
[M-H]- 368.15370 190.7
[M+NH4]+ 387.19480 197.6
[M+K]+ 408.12414 188.4
[M+H-H2O]+ 352.15824 178.7
[M+HCOO]- 414.15918 196.3
[M+CH3COO]- 428.17483 211.4
[M+Na-2H]- 390.13565 187.1
[M]+ 369.16043 189.4
[M]- 369.16153 189.4
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