CID 86221059

512822-18-3

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC1CN(CCC1C=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H21NO3/c1-9-7-13(6-5-10(9)8-14)11(15)16-12(2,3)4/h8-10H,5-7H2,1-4H3

InChIKey

PLVBIBPBUCVLHC-UHFFFAOYSA-N

Compound name

tert-butyl 4-formyl-3-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 227.15215 Da
Monoisotopic Mass: 1.5
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]+	228.15943	153.6
[M+Na]+	250.14137	162.7
[M+NH4]+	245.18597	159.7
[M+K]+	266.11531	158.7
[M-H]-	226.14487	152.7
[M+Na-2H]-	248.12682	155.9
[M]+	227.15160	154.3
[M]-	227.15270	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe