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]+ 313.212176 176.6
[M+Na]+ 335.194118 178.0
[M-H]- 311.197624 177.2
[M+NH4]+ 330.238723 189.0
[M+K]+ 351.168058 176.9
[M+H-H2O]+ 295.202160 169.0
[M+HCOO]- 357.203101 185.1
[M+CH3COO]- 371.218751 200.6
[M+Na-2H]- 333.179566 176.7
[M]+ 312.20435142 170.2
[M]- 312.20544858 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