CID 57514464

Tert-butyl (3z)-3-ethylidene-4-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
C/C=C\1/CN(CCC1=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO3/c1-5-9-8-13(7-6-10(9)14)11(15)16-12(2,3)4/h5H,6-8H2,1-4H3/b9-5-
InChIKey
MJIKIYZXUTXUMS-UITAMQMPSA-N
Compound name
tert-butyl (3Z)-3-ethylidene-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 151.6
[M+Na]+ 248.12571 157.8
[M-H]- 224.12921 153.4
[M+NH4]+ 243.17031 169.0
[M+K]+ 264.09965 156.5
[M+H-H2O]+ 208.13375 145.8
[M+HCOO]- 270.13469 168.3
[M+CH3COO]- 284.15034 188.4
[M+Na-2H]- 246.11116 153.8
[M]+ 225.13594 150.5
[M]- 225.13704 150.5
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.