CID 5016260

53825-32-4

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CC1(CC2(CC(N1)(C)C)OCC(O2)CO)C

InChI

InChI=1S/C12H23NO3/c1-10(2)7-12(8-11(3,4)13-10)15-6-9(5-14)16-12/h9,13-14H,5-8H2,1-4H3

InChIKey

MWQYHQBSFLBACS-UHFFFAOYSA-N

Compound name

(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 229.1678 Da
Monoisotopic Mass: 0.4
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]+	230.175076	150.1
[M+Na]+	252.157018	157.1
[M-H]-	228.160524	152.9
[M+NH4]+	247.201623	171.1
[M+K]+	268.130958	157.0
[M+H-H2O]+	212.165060	146.4
[M+HCOO]-	274.166001	163.1
[M+CH3COO]-	288.181651	183.6
[M+Na-2H]-	250.142466	155.8
[M]+	229.16725142	147.4
[M]-	229.16834858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe