CID 131752123

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

Structural Information

Molecular Formula
C16H24O4
SMILES
CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)O)C
InChI
InChI=1S/C16H24O4/c1-9-6-5-7-11-8-16(19-4)12(10(2)14(18)20-16)13(17)15(9,11)3/h9,11,13,17H,5-8H2,1-4H3
InChIKey
UTOHVMLCPJSXEB-UHFFFAOYSA-N
Compound name
4-hydroxy-9a-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16745 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 162.6
[M+Na]+ 303.15667 171.0
[M-H]- 279.16017 167.1
[M+NH4]+ 298.20127 185.2
[M+K]+ 319.13061 168.7
[M+H-H2O]+ 263.16471 158.7
[M+HCOO]- 325.16565 176.2
[M+CH3COO]- 339.18130 199.6
[M+Na-2H]- 301.14212 165.8
[M]+ 280.16690 162.7
[M]- 280.16800 162.7
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.