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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.180156	156.2
[M+Na]+	248.162098	160.2
[M-H]-	224.165604	155.9
[M+NH4]+	243.206703	172.5
[M+K]+	264.136038	157.8
[M+H-H2O]+	208.170140	150.2
[M+HCOO]-	270.171081	170.6
[M+CH3COO]-	284.186731	187.8
[M+Na-2H]-	246.147546	157.7
[M]+	225.17233142	152.5
[M]-	225.17342858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe