CID 49760245

849106-01-0

Structural Information

Molecular Formula
C18H24ClNO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)Cl)C(=O)OC
InChI
InChI=1S/C18H24ClNO4/c1-17(2,3)24-16(22)20-11-9-18(10-12-20,15(21)23-4)13-5-7-14(19)8-6-13/h5-8H,9-12H2,1-4H3
InChIKey
BZEARXQYZYGUSO-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-methyl 4-(4-chlorophenyl)piperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

353.13937 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14665 180.3
[M+Na]+ 376.12859 186.1
[M-H]- 352.13209 185.1
[M+NH4]+ 371.17319 194.8
[M+K]+ 392.10253 183.3
[M+H-H2O]+ 336.13663 173.8
[M+HCOO]- 398.13757 191.0
[M+CH3COO]- 412.15322 209.2
[M+Na-2H]- 374.11404 181.9
[M]+ 353.13882 182.8
[M]- 353.13992 182.8
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

patents stripe