CID 14466728

52346-11-9

Structural Information

Molecular Formula
C13H23NO2
SMILES
CC(C)(C)OC(=O)C[C@@H]1CCNC[C@@H]1C=C
InChI
InChI=1S/C13H23NO2/c1-5-10-9-14-7-6-11(10)8-12(15)16-13(2,3)4/h5,10-11,14H,1,6-9H2,2-4H3/t10-,11-/m0/s1
InChIKey
ZEHOOORBLCQKOE-QWRGUYRKSA-N
Compound name
tert-butyl 2-[(3R,4S)-3-ethenylpiperidin-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.17288 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.18016 156.2
[M+Na]+ 248.16210 160.2
[M-H]- 224.16560 155.9
[M+NH4]+ 243.20670 172.5
[M+K]+ 264.13604 157.8
[M+H-H2O]+ 208.17014 150.2
[M+HCOO]- 270.17108 170.6
[M+CH3COO]- 284.18673 187.8
[M+Na-2H]- 246.14755 157.7
[M]+ 225.17233 152.5
[M]- 225.17343 152.5
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

patents stripe