CID 51358548

900642-17-3

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC1CN(CCC1N)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H22N2O2/c1-8-7-13(6-5-9(8)12)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3

InChIKey

UMBWKSXEVUZEMI-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-3-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
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]+	215.17540	152.4
[M+Na]+	237.15734	157.5
[M-H]-	213.16084	153.7
[M+NH4]+	232.20194	169.7
[M+K]+	253.13128	156.8
[M+H-H2O]+	197.16538	146.3
[M+HCOO]-	259.16632	169.1
[M+CH3COO]-	273.18197	190.1
[M+Na-2H]-	235.14279	154.0
[M]+	214.16757	149.1
[M]-	214.16867	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe