CID 20860

4745-26-0

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC1CCCC2(C1)OCC(CO2)O

InChI

InChI=1S/C10H18O3/c1-8-3-2-4-10(5-8)12-6-9(11)7-13-10/h8-9,11H,2-7H2,1H3

InChIKey

HAHNQDWUDUSVRF-UHFFFAOYSA-N

Compound name

10-methyl-1,5-dioxaspiro[5.5]undecan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.1256 Da
Monoisotopic Mass: 1.2
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]+	187.132876	140.9
[M+Na]+	209.114818	145.3
[M-H]-	185.118324	145.7
[M+NH4]+	204.159423	159.5
[M+K]+	225.088758	146.4
[M+H-H2O]+	169.122860	135.5
[M+HCOO]-	231.123801	155.2
[M+CH3COO]-	245.139451	176.9
[M+Na-2H]-	207.100266	147.5
[M]+	186.12505142	135.3
[M]-	186.12614858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe