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 156.7
[M+Na]+ 271.13047 162.0
[M-H]- 247.13397 157.7
[M+NH4]+ 266.17507 175.6
[M+K]+ 287.10441 158.1
[M+H-H2O]+ 231.13851 152.3
[M+HCOO]- 293.13945 169.4
[M+CH3COO]- 307.15510 191.9
[M+Na-2H]- 269.11592 157.0
[M]+ 248.14070 150.6
[M]- 248.14180 150.6
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.