CID 20816952

1158759-06-8

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC1(CCCN(C1)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-5-6-11(4,12)8-13/h5-8,12H2,1-4H3

InChIKey

BSSYZMZEARMCMK-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-3-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
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	151.5
[M+Na]+	237.15734	156.7
[M-H]-	213.16084	152.8
[M+NH4]+	232.20194	170.6
[M+K]+	253.13128	156.3
[M+H-H2O]+	197.16538	146.3
[M+HCOO]-	259.16632	168.3
[M+CH3COO]-	273.18197	188.4
[M+Na-2H]-	235.14279	155.2
[M]+	214.16757	148.2
[M]-	214.16867	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe