CID 92659

Oxaspirane

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC1(CCOC2(C1)CCCCC2)O

InChI

InChI=1S/C11H20O2/c1-10(12)7-8-13-11(9-10)5-3-2-4-6-11/h12H,2-9H2,1H3

InChIKey

WTYRGXLTFZYIIM-UHFFFAOYSA-N

Compound name

4-methyl-1-oxaspiro[5.5]undecan-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 329
Patents: 184.14633 Da
Monoisotopic Mass: 1.8
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]+	185.15361	143.0
[M+Na]+	207.13555	146.9
[M-H]-	183.13905	146.9
[M+NH4]+	202.18015	164.6
[M+K]+	223.10949	146.5
[M+H-H2O]+	167.14359	137.7
[M+HCOO]-	229.14453	157.6
[M+CH3COO]-	243.16018	176.2
[M+Na-2H]-	205.12100	149.7
[M]+	184.14578	135.5
[M]-	184.14688	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe