CID 14864221

Chebi:195566

Structural Information

Molecular Formula
C15H20O3
SMILES
CC12CCC(CC1C(=C)C=CC2O)C(=C)C(=O)O
InChI
InChI=1S/C15H20O3/c1-9-4-5-13(16)15(3)7-6-11(8-12(9)15)10(2)14(17)18/h4-5,11-13,16H,1-2,6-8H2,3H3,(H,17,18)
InChIKey
GQPOONXHFROSAO-UHFFFAOYSA-N
Compound name
2-(5-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,8a-hexahydronaphthalen-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 158.3
[M+Na]+ 271.13047 167.5
[M+NH4]+ 266.17507 166.6
[M+K]+ 287.10441 160.7
[M-H]- 247.13397 158.3
[M+Na-2H]- 269.11592 160.8
[M]+ 248.14070 159.4
[M]- 248.14180 159.4
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.