CID 567352

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

Structural Information

Molecular Formula
C8H14O3
SMILES
C1CC2(CCC1O)OCCO2
InChI
InChI=1S/C8H14O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7,9H,1-6H2
InChIKey
HKQTYQDNCKMNHZ-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1611
Patents

158.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 132.0
[M+Na]+ 181.08352 137.2
[M-H]- 157.08702 136.8
[M+NH4]+ 176.12812 153.2
[M+K]+ 197.05746 138.4
[M+H-H2O]+ 141.09156 127.6
[M+HCOO]- 203.09250 149.1
[M+CH3COO]- 217.10815 169.2
[M+Na-2H]- 179.06897 138.9
[M]+ 158.09375 127.3
[M]- 158.09485 127.3
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