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

24
Patents

224.11609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 149.4
[M+Na]+ 247.10531 157.4
[M-H]- 223.10881 151.1
[M+NH4]+ 242.14991 164.8
[M+K]+ 263.07925 156.2
[M+H-H2O]+ 207.11335 137.0
[M+HCOO]- 269.11429 163.3
[M+CH3COO]- 283.12994 199.7
[M+Na-2H]- 245.09076 152.0
[M]+ 224.11554 143.6
[M]- 224.11664 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