CID 71695402

Tert-butyl 4-cyano-3-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)C1)C#N
InChI
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13/h8H,4-5,7H2,1-3H3
InChIKey
TZSKJTYCMOGQAE-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyano-3-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

224.11609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 149.4
[M+Na]+ 247.105308 157.4
[M-H]- 223.108814 151.1
[M+NH4]+ 242.149913 164.8
[M+K]+ 263.079248 156.2
[M+H-H2O]+ 207.113350 137.0
[M+HCOO]- 269.114291 163.3
[M+CH3COO]- 283.129941 199.7
[M+Na-2H]- 245.090756 152.0
[M]+ 224.11554142 143.6
[M]- 224.11663858 143.6
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