CID 10487354

189508-45-0

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CCO[C@]2(C1)[C@H](C=CCO2)O
InChI
InChI=1S/C9H14O3/c10-8-4-3-7-12-9(8)5-1-2-6-11-9/h3-4,8,10H,1-2,5-7H2/t8-,9-/m0/s1
InChIKey
JZUMMFAUTNJDMI-IUCAKERBSA-N
Compound name
(5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 136.1
[M+Na]+ 193.08352 147.4
[M+NH4]+ 188.12812 146.6
[M+K]+ 209.05746 140.5
[M-H]- 169.08702 141.5
[M+Na-2H]- 191.06897 142.5
[M]+ 170.09375 139.3
[M]- 170.09485 139.3
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

No patent data available for this compound.