CID 22975819

203186-96-3

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CO)N

InChI

InChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)13-6-4-11(12,8-14)5-7-13/h14H,4-8,12H2,1-3H3

InChIKey

MQYPVGMYPYZMHJ-UHFFFAOYSA-N

Compound name

tert-butyl 4-amino-4-(hydroxymethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 230.16304 Da
Monoisotopic Mass: -0.1
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]+	231.170316	155.1
[M+Na]+	253.152258	159.8
[M-H]-	229.155764	154.9
[M+NH4]+	248.196863	172.7
[M+K]+	269.126198	159.0
[M+H-H2O]+	213.160300	150.0
[M+HCOO]-	275.161241	170.6
[M+CH3COO]-	289.176891	188.1
[M+Na-2H]-	251.137706	158.5
[M]+	230.16249142	151.4
[M]-	230.16358858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe