CID 14942946

(r)-5-allyl-2-oxabicyclo[3.3.0]oct-8-ene

Structural Information

Molecular Formula
C10H14O
SMILES
C=CC[C@@]12CCC=C1OCC2
InChI
InChI=1S/C10H14O/c1-2-5-10-6-3-4-9(10)11-8-7-10/h2,4H,1,3,5-8H2/t10-/m0/s1
InChIKey
WBRYUDKSKFXYOD-JTQLQIEISA-N
Compound name
(3aR)-3a-prop-2-enyl-2,3,4,5-tetrahydrocyclopenta[b]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

150.10446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 133.2
[M+Na]+ 173.09368 140.8
[M-H]- 149.09718 138.0
[M+NH4]+ 168.13828 159.5
[M+K]+ 189.06762 139.5
[M+H-H2O]+ 133.10172 129.3
[M+HCOO]- 195.10266 155.4
[M+CH3COO]- 209.11831 173.7
[M+Na-2H]- 171.07913 139.0
[M]+ 150.10391 132.4
[M]- 150.10501 132.4
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