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 153.0
[M+Na]+ 259.13047 159.7
[M-H]- 235.13397 154.5
[M+NH4]+ 254.17507 173.0
[M+K]+ 275.10441 156.1
[M+H-H2O]+ 219.13851 148.8
[M+HCOO]- 281.13945 166.8
[M+CH3COO]- 295.15510 190.0
[M+Na-2H]- 257.11592 154.4
[M]+ 236.14070 148.3
[M]- 236.14180 148.3
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