CID 21948349

1,4-di-tert-butyl 4-(aminomethyl)piperidine-1,4-dicarboxylate

Structural Information

Molecular Formula
C16H30N2O4
SMILES
CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C16H30N2O4/c1-14(2,3)21-12(19)16(11-17)7-9-18(10-8-16)13(20)22-15(4,5)6/h7-11,17H2,1-6H3
InChIKey
GVUXUNPRCVAULG-UHFFFAOYSA-N
Compound name
ditert-butyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

314.22055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.227826 176.0
[M+Na]+ 337.209768 179.4
[M-H]- 313.213274 176.7
[M+NH4]+ 332.254373 190.9
[M+K]+ 353.183708 179.6
[M+H-H2O]+ 297.217810 170.8
[M+HCOO]- 359.218751 189.3
[M+CH3COO]- 373.234401 206.9
[M+Na-2H]- 335.195216 177.9
[M]+ 314.22000142 175.6
[M]- 314.22109858 175.6
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