CID 18713075

8-methyl-1,4-dioxaspiro[4.5]decan-8-ol

Structural Information

Molecular Formula
C9H16O3
SMILES
CC1(CCC2(CC1)OCCO2)O
InChI
InChI=1S/C9H16O3/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h10H,2-7H2,1H3
InChIKey
AAYZDXMYYIJKLR-UHFFFAOYSA-N
Compound name
8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

172.10994 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 135.7
[M+Na]+ 195.099158 141.5
[M-H]- 171.102664 140.8
[M+NH4]+ 190.143763 158.4
[M+K]+ 211.073098 142.7
[M+H-H2O]+ 155.107200 131.9
[M+HCOO]- 217.108141 152.5
[M+CH3COO]- 231.123791 172.0
[M+Na-2H]- 193.084606 143.3
[M]+ 172.10939142 131.9
[M]- 172.11048858 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe