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]+ 226.143766 151.6
[M+Na]+ 248.125708 157.8
[M-H]- 224.129214 153.4
[M+NH4]+ 243.170313 169.0
[M+K]+ 264.099648 156.5
[M+H-H2O]+ 208.133750 145.8
[M+HCOO]- 270.134691 168.3
[M+CH3COO]- 284.150341 188.4
[M+Na-2H]- 246.111156 153.8
[M]+ 225.13594142 150.5
[M]- 225.13703858 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.