CID 70650847

1158759-03-5

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC1(CCNCC1)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-12(4)5-7-13-8-6-12/h13H,5-9H2,1-4H3,(H,14,15)

InChIKey

VKIYCSNDWNMPKU-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 233
Patents: 228.18378 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]+	229.19106	155.9
[M+Na]+	251.17300	163.1
[M+NH4]+	246.21760	163.5
[M+K]+	267.14694	157.2
[M-H]-	227.17650	155.3
[M+Na-2H]-	249.15845	160.0
[M]+	228.18323	156.5
[M]-	228.18433	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe