CID 132354096

2138038-56-7

Structural Information

Molecular Formula

C₁₃H₂₃NO₄

SMILES

CC(C)(C)OC(=O)NC1CC(C12CCOCC2)O

InChI

InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-9-8-10(15)13(9)4-6-17-7-5-13/h9-10,15H,4-8H2,1-3H3,(H,14,16)

InChIKey

HMHYBCRJLNPUMK-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-hydroxy-7-oxaspiro[3.5]nonan-1-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.16272 Da
Monoisotopic Mass: 1.0
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]+	258.169996	157.9
[M+Na]+	280.151938	160.0
[M-H]-	256.155444	161.8
[M+NH4]+	275.196543	168.3
[M+K]+	296.125878	163.8
[M+H-H2O]+	240.159980	147.7
[M+HCOO]-	302.160921	172.0
[M+CH3COO]-	316.176571	195.9
[M+Na-2H]-	278.137386	162.4
[M]+	257.16217142	163.9
[M]-	257.16326858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.