CID 72207742

1363381-93-4

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC(C2)CO

InChI

InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-12(8-13)4-9(5-12)6-14/h9,14H,4-8H2,1-3H3

InChIKey

DDYDRGNYVNDPNR-UHFFFAOYSA-N

Compound name

tert-butyl 6-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 227.15215 Da
Monoisotopic Mass: 1.1
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]+	228.15943	150.4
[M+Na]+	250.14137	153.6
[M-H]-	226.14487	153.0
[M+NH4]+	245.18597	155.8
[M+K]+	266.11531	158.3
[M+H-H2O]+	210.14941	136.9
[M+HCOO]-	272.15035	163.5
[M+CH3COO]-	286.16600	198.5
[M+Na-2H]-	248.12682	153.5
[M]+	227.15160	166.5
[M]-	227.15270	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe