CID 45283

Brn 0107947

Structural Information

Molecular Formula

C₉H₁₆O₃

SMILES

CC1CCCC12OCC(O2)CO

InChI

InChI=1S/C9H16O3/c1-7-3-2-4-9(7)11-6-8(5-10)12-9/h7-8,10H,2-6H2,1H3

InChIKey

SKUIGVFPSLMMNN-UHFFFAOYSA-N

Compound name

(9-methyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.10994 Da
Monoisotopic Mass: 0.7
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]+	173.117216	136.6
[M+Na]+	195.099158	143.2
[M-H]-	171.102664	141.9
[M+NH4]+	190.143763	159.4
[M+K]+	211.073098	144.0
[M+H-H2O]+	155.107200	133.4
[M+HCOO]-	217.108141	155.5
[M+CH3COO]-	231.123791	173.4
[M+Na-2H]-	193.084606	141.2
[M]+	172.10939142	134.9
[M]-	172.11048858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe