CID 4066558

1,4-dioxaspiro[4.5]decan-6-ylmethanol

Structural Information

Molecular Formula
C9H16O3
SMILES
C1CCC2(C(C1)CO)OCCO2
InChI
InChI=1S/C9H16O3/c10-7-8-3-1-2-4-9(8)11-5-6-12-9/h8,10H,1-7H2
InChIKey
PEAQWZZFHDUADY-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

172.10994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 136.6
[M+Na]+ 195.099158 141.4
[M-H]- 171.102664 141.3
[M+NH4]+ 190.143763 157.3
[M+K]+ 211.073098 142.3
[M+H-H2O]+ 155.107200 132.0
[M+HCOO]- 217.108141 153.4
[M+CH3COO]- 231.123791 172.2
[M+Na-2H]- 193.084606 143.0
[M]+ 172.10939142 132.3
[M]- 172.11048858 132.3
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