CID 23109465

Tert-butyl 4-amino-4-ethenylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C=C)N
InChI
InChI=1S/C12H22N2O2/c1-5-12(13)6-8-14(9-7-12)10(15)16-11(2,3)4/h5H,1,6-9,13H2,2-4H3
InChIKey
VVOATFCNVJCAKT-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-4-ethenylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

226.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.6
[M+Na]+ 249.15734 159.6
[M-H]- 225.16084 155.7
[M+NH4]+ 244.20194 173.1
[M+K]+ 265.13128 158.3
[M+H-H2O]+ 209.16538 149.2
[M+HCOO]- 271.16632 171.3
[M+CH3COO]- 285.18197 190.5
[M+Na-2H]- 247.14279 157.8
[M]+ 226.16757 151.0
[M]- 226.16867 151.0
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.