CID 89108927

1793108-52-7

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC=C)C=O

InChI

InChI=1S/C14H23NO3/c1-5-6-14(11-16)7-9-15(10-8-14)12(17)18-13(2,3)4/h5,11H,1,6-10H2,2-4H3

InChIKey

MZQDMBLLRIEPTM-UHFFFAOYSA-N

Compound name

tert-butyl 4-formyl-4-prop-2-enylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 253.1678 Da
Monoisotopic Mass: 2.0
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]+	254.175076	160.0
[M+Na]+	276.157018	165.2
[M-H]-	252.160524	161.3
[M+NH4]+	271.201623	177.8
[M+K]+	292.130958	163.8
[M+H-H2O]+	236.165060	154.5
[M+HCOO]-	298.166001	176.0
[M+CH3COO]-	312.181651	193.4
[M+Na-2H]-	274.142466	163.1
[M]+	253.16725142	159.7
[M]-	253.16834858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe