CID 137964377

Tert-butyl 3-formyl-4,4-dimethylpiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CC1(CCN(CC1C=O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-7-6-13(4,5)10(8-14)9-15/h9-10H,6-8H2,1-5H3

InChIKey

IHMJMECHZIYCJK-UHFFFAOYSA-N

Compound name

tert-butyl 3-formyl-4,4-dimethylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.1678 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]+	242.175076	155.6
[M+Na]+	264.157018	162.0
[M-H]-	240.160524	157.5
[M+NH4]+	259.201623	174.4
[M+K]+	280.130958	161.5
[M+H-H2O]+	224.165060	150.7
[M+HCOO]-	286.166001	171.8
[M+CH3COO]-	300.181651	192.5
[M+Na-2H]-	262.142466	158.7
[M]+	241.16725142	156.1
[M]-	241.16834858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe