CID 157010007

Oxyglutinosone

Structural Information

Molecular Formula
C14H20O3
SMILES
CC1C(C(=O)C=C2C1(CC(CC2)C(=C)C)O)O
InChI
InChI=1S/C14H20O3/c1-8(2)10-4-5-11-6-12(15)13(16)9(3)14(11,17)7-10/h6,9-10,13,16-17H,1,4-5,7H2,2-3H3
InChIKey
WTKMNNYAWXFDHL-UHFFFAOYSA-N
Compound name
3,4a-dihydroxy-4-methyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.14125 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 154.3
[M+Na]+ 259.13047 164.4
[M+NH4]+ 254.17507 163.2
[M+K]+ 275.10441 157.4
[M-H]- 235.13397 155.0
[M+Na-2H]- 257.11592 157.4
[M]+ 236.14070 155.8
[M]- 236.14180 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe