CID 14866156

(6beta,8alpha)-6-hydroxy-7(11)-eremophilen-12,8-olide

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1CCCC2C1(C(C3=C(C(=O)OC3C2)C)O)C
InChI
InChI=1S/C15H22O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h8,10-11,13,16H,4-7H2,1-3H3
InChIKey
YDCNBSJHGGIZNP-UHFFFAOYSA-N
Compound name
4-hydroxy-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
2
Annotation Hits

0
References

2
Patents

250.15689 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 156.8
[M+Na]+ 273.14611 164.7
[M-H]- 249.14961 161.2
[M+NH4]+ 268.19071 178.6
[M+K]+ 289.12005 161.9
[M+H-H2O]+ 233.15415 152.6
[M+HCOO]- 295.15509 170.6
[M+CH3COO]- 309.17074 194.6
[M+Na-2H]- 271.13156 158.8
[M]+ 250.15634 154.5
[M]- 250.15744 154.5
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