CID 21948349

Schembl5743508

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

9
Patents

314.22055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.22783 176.0
[M+Na]+ 337.20977 179.4
[M-H]- 313.21327 176.7
[M+NH4]+ 332.25437 190.9
[M+K]+ 353.18371 179.6
[M+H-H2O]+ 297.21781 170.8
[M+HCOO]- 359.21875 189.3
[M+CH3COO]- 373.23440 206.9
[M+Na-2H]- 335.19522 177.9
[M]+ 314.22000 175.6
[M]- 314.22110 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