CID 138046442

1,9-dioxaspiro[5.5]undecan-5-ol

Structural Information

Molecular Formula
C9H16O3
SMILES
C1CC(C2(CCOCC2)OC1)O
InChI
InChI=1S/C9H16O3/c10-8-2-1-5-12-9(8)3-6-11-7-4-9/h8,10H,1-7H2
InChIKey
MREVNMDSJIDBHA-UHFFFAOYSA-N
Compound name
1,9-dioxaspiro[5.5]undecan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 136.7
[M+Na]+ 195.09916 140.5
[M-H]- 171.10266 141.2
[M+NH4]+ 190.14376 155.4
[M+K]+ 211.07310 141.8
[M+H-H2O]+ 155.10720 131.1
[M+HCOO]- 217.10814 151.3
[M+CH3COO]- 231.12379 172.7
[M+Na-2H]- 193.08461 144.4
[M]+ 172.10939 130.2
[M]- 172.11049 130.2
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

No patent data available for this compound.