CID 14864220

3-oxo-1,4,11(13)-eudesmatrien-12-oic acid

Structural Information

Molecular Formula
C15H18O3
SMILES
CC1=C2CC(CCC2(C=CC1=O)C)C(=C)C(=O)O
InChI
InChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18)
InChIKey
FPCQVGOUFYTXFX-UHFFFAOYSA-N
Compound name
2-(4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 154.2
[M+Na]+ 269.11482 160.9
[M-H]- 245.11832 157.0
[M+NH4]+ 264.15942 174.0
[M+K]+ 285.08876 157.7
[M+H-H2O]+ 229.12286 149.4
[M+HCOO]- 291.12380 169.9
[M+CH3COO]- 305.13945 193.9
[M+Na-2H]- 267.10027 156.0
[M]+ 246.12505 151.4
[M]- 246.12615 151.4
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.