CID 67410270

1314319-01-1

Structural Information

Molecular Formula
C13H22ClNO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CCl)C(=O)OC
InChI
InChI=1S/C13H22ClNO4/c1-12(2,3)19-11(17)15-7-5-13(9-14,6-8-15)10(16)18-4/h5-9H2,1-4H3
InChIKey
XZPUEKMFNKEXIB-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 4-O-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

291.12375 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13103 163.8
[M+Na]+ 314.11297 169.7
[M-H]- 290.11647 165.4
[M+NH4]+ 309.15757 181.1
[M+K]+ 330.08691 168.3
[M+H-H2O]+ 274.12101 159.4
[M+HCOO]- 336.12195 174.9
[M+CH3COO]- 350.13760 197.3
[M+Na-2H]- 312.09842 166.3
[M]+ 291.12320 166.6
[M]- 291.12430 166.6
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