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 134.8
[M+Na]+ 193.08352 139.7
[M-H]- 169.08702 139.7
[M+NH4]+ 188.12812 153.7
[M+K]+ 209.05746 140.8
[M+H-H2O]+ 153.09156 129.2
[M+HCOO]- 215.09250 150.9
[M+CH3COO]- 229.10815 172.3
[M+Na-2H]- 191.06897 143.6
[M]+ 170.09375 129.8
[M]- 170.09485 129.8
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.