CID 21306981

416852-37-4

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CC1CC(CCN1C(=O)OC(C)(C)C)CO

InChI

InChI=1S/C12H23NO3/c1-9-7-10(8-14)5-6-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3

InChIKey

LXOVPEAYTWFSBI-UHFFFAOYSA-N

Compound name

tert-butyl 4-(hydroxymethyl)-2-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 229.1678 Da
Monoisotopic Mass: 1.6
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]+	230.17508	155.5
[M+Na]+	252.15702	160.7
[M-H]-	228.16052	155.8
[M+NH4]+	247.20162	172.1
[M+K]+	268.13096	159.7
[M+H-H2O]+	212.16506	149.8
[M+HCOO]-	274.16600	170.3
[M+CH3COO]-	288.18165	188.3
[M+Na-2H]-	250.14247	157.1
[M]+	229.16725	154.0
[M]-	229.16835	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe