CID 71762894

1446012-48-1

Structural Information

Molecular Formula

C₁₂H₂₁NO₄

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CCC(O2)CO

InChI

InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-7-12(8-13)5-4-9(6-14)16-12/h9,14H,4-8H2,1-3H3

InChIKey

IQPBJPYNUXVTEC-UHFFFAOYSA-N

Compound name

tert-butyl 6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.14706 Da
Monoisotopic Mass: 0.5
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]+	244.154336	153.0
[M+Na]+	266.136278	157.2
[M-H]-	242.139784	156.3
[M+NH4]+	261.180883	165.0
[M+K]+	282.110218	160.6
[M+H-H2O]+	226.144320	143.9
[M+HCOO]-	288.145261	167.4
[M+CH3COO]-	302.160911	190.1
[M+Na-2H]-	264.121726	156.5
[M]+	243.14651142	161.9
[M]-	243.14760858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.