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 176.6
[M+Na]+ 335.19412 178.0
[M-H]- 311.19762 177.2
[M+NH4]+ 330.23872 189.0
[M+K]+ 351.16806 176.9
[M+H-H2O]+ 295.20216 169.0
[M+HCOO]- 357.20310 185.1
[M+CH3COO]- 371.21875 200.6
[M+Na-2H]- 333.17957 176.7
[M]+ 312.20435 170.2
[M]- 312.20545 170.2
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