CID 131752927

3b-hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide

Structural Information

Molecular Formula
C16H24O4
SMILES
CC1C(CCC2C1(C(C3=C(C(=O)OC3C2)C)OC)C)O
InChI
InChI=1S/C16H24O4/c1-8-13-12(20-15(8)18)7-10-5-6-11(17)9(2)16(10,3)14(13)19-4/h9-12,14,17H,5-7H2,1-4H3
InChIKey
OBOOZVIHEDVWHF-UHFFFAOYSA-N
Compound name
6-hydroxy-4-methoxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16745 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 163.5
[M+Na]+ 303.15667 171.7
[M-H]- 279.16017 168.1
[M+NH4]+ 298.20127 184.3
[M+K]+ 319.13061 169.4
[M+H-H2O]+ 263.16471 159.4
[M+HCOO]- 325.16565 177.1
[M+CH3COO]- 339.18130 201.2
[M+Na-2H]- 301.14212 164.8
[M]+ 280.16690 163.6
[M]- 280.16800 163.6
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

No patent data available for this compound.