CID 1502022

140645-24-5

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)CN

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8,12H2,1-3H3/t9-/m0/s1

InChIKey

WPWXYQIMXTUMJB-VIFPVBQESA-N

Compound name

tert-butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1597
Patents: 214.16812 Da
Monoisotopic Mass: 0.9
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]+	215.17540	152.8
[M+Na]+	237.15734	157.0
[M-H]-	213.16084	153.7
[M+NH4]+	232.20194	169.8
[M+K]+	253.13128	156.2
[M+H-H2O]+	197.16538	146.4
[M+HCOO]-	259.16632	169.5
[M+CH3COO]-	273.18197	188.8
[M+Na-2H]-	235.14279	155.1
[M]+	214.16757	149.1
[M]-	214.16867	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe