CID 75144776

8a-hydroxy-1,8-dimethyl-5-methylidene-5a,6,7,8-tetrahydro-4h-azuleno[6,5-b]furan-9-one

Structural Information

Molecular Formula
C15H18O3
SMILES
CC1CCC2C1(C(=O)C3=C(CC2=C)OC=C3C)O
InChI
InChI=1S/C15H18O3/c1-8-6-12-13(9(2)7-18-12)14(16)15(17)10(3)4-5-11(8)15/h7,10-11,17H,1,4-6H2,2-3H3
InChIKey
CKDRPCYJCDMPFO-UHFFFAOYSA-N
Compound name
8a-hydroxy-1,8-dimethyl-5-methylidene-5a,6,7,8-tetrahydro-4H-azuleno[6,5-b]furan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.1256 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 154.0
[M+Na]+ 269.11482 162.4
[M-H]- 245.11832 160.7
[M+NH4]+ 264.15942 176.3
[M+K]+ 285.08876 160.9
[M+H-H2O]+ 229.12286 151.7
[M+HCOO]- 291.12380 171.2
[M+CH3COO]- 305.13945 166.6
[M+Na-2H]- 267.10027 155.4
[M]+ 246.12505 151.5
[M]- 246.12615 151.5
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