CID 82664676

Tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CN)CO
InChI
InChI=1S/C12H24N2O3/c1-11(2,3)17-10(16)14-6-4-5-12(7-13,8-14)9-15/h15H,4-9,13H2,1-3H3
InChIKey
GEBUIJLISCWICT-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 159.6
[M+Na]+ 267.16792 163.7
[M-H]- 243.17142 159.1
[M+NH4]+ 262.21252 176.6
[M+K]+ 283.14186 162.8
[M+H-H2O]+ 227.17596 154.2
[M+HCOO]- 289.17690 174.7
[M+CH3COO]- 303.19255 191.1
[M+Na-2H]- 265.15337 162.4
[M]+ 244.17815 156.2
[M]- 244.17925 156.2
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

No patent data available for this compound.