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]+ 227.175396 154.6
[M+Na]+ 249.157338 159.6
[M-H]- 225.160844 155.7
[M+NH4]+ 244.201943 173.1
[M+K]+ 265.131278 158.3
[M+H-H2O]+ 209.165380 149.2
[M+HCOO]- 271.166321 171.3
[M+CH3COO]- 285.181971 190.5
[M+Na-2H]- 247.142786 157.8
[M]+ 226.16757142 151.0
[M]- 226.16866858 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

patents stripe