CID 69806857

Sodium 1-[(tert-butoxy)carbonyl]-4-(piperidin-1-yl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C16H28N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N2CCCCC2
InChI
InChI=1S/C16H28N2O4/c1-15(2,3)22-14(21)17-11-7-16(8-12-17,13(19)20)18-9-5-4-6-10-18/h4-12H2,1-3H3,(H,19,20)
InChIKey
JOBTUSMNKCSPAI-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.2049 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.21218 175.2
[M+Na]+ 335.19412 181.8
[M+NH4]+ 330.23872 181.2
[M+K]+ 351.16806 177.2
[M-H]- 311.19762 174.3
[M+Na-2H]- 333.17957 178.3
[M]+ 312.20435 175.5
[M]- 312.20545 175.5
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