CID 1501847

1016167-99-9

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NC[C@H]1CCCNC1

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1

InChIKey

KHPQHXGYYXYTDN-VIFPVBQESA-N

Compound name

tert-butyl N-[[(3S)-piperidin-3-yl]methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 740
Patents: 214.16812 Da
Monoisotopic Mass: 1.2
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]+	215.175396	153.1
[M+Na]+	237.157338	155.9
[M-H]-	213.160844	152.7
[M+NH4]+	232.201943	169.3
[M+K]+	253.131278	154.5
[M+H-H2O]+	197.165380	146.6
[M+HCOO]-	259.166321	169.0
[M+CH3COO]-	273.181971	185.7
[M+Na-2H]-	235.142786	156.6
[M]+	214.16757142	148.1
[M]-	214.16866858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe