CID 10080838

1,4-dioxaspiro[4.5]decan-8-ylmethanol

Structural Information

Molecular Formula
C9H16O3
SMILES
C1CC2(CCC1CO)OCCO2
InChI
InChI=1S/C9H16O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8,10H,1-7H2
InChIKey
YXNMORHRGMYQKF-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-8-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

517
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 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

literature stripe

Patent stripe

patents stripe