CID 14661895

3-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)
InChIKey
APFUDGDIIFSTSD-UHFFFAOYSA-N
Compound name
tert-butyl 3-carbamoylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

228.1474 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.154676 153.7
[M+Na]+ 251.136618 157.8
[M-H]- 227.140124 154.6
[M+NH4]+ 246.181223 169.8
[M+K]+ 267.110558 157.5
[M+H-H2O]+ 211.144660 147.4
[M+HCOO]- 273.145601 169.9
[M+CH3COO]- 287.161251 191.0
[M+Na-2H]- 249.122066 155.0
[M]+ 228.14685142 150.1
[M]- 228.14794858 150.1
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