CID 168010313

11,12-didehydrospironostoic acid

Structural Information

Molecular Formula
C15H20O3
SMILES
C[C@H]1CC(=O)C=C([C@]12CC[C@H](C2)C(=C)C(=O)O)C
InChI
InChI=1S/C15H20O3/c1-9-6-13(16)7-10(2)15(9)5-4-12(8-15)11(3)14(17)18/h6,10,12H,3-5,7-8H2,1-2H3,(H,17,18)/t10-,12+,15+/m0/s1
InChIKey
LAWCKNORDBHEQP-JVLSTEMRSA-N
Compound name
2-[(3R,5S,6S)-6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 156.9
[M+Na]+ 271.13047 163.1
[M-H]- 247.13397 161.0
[M+NH4]+ 266.17507 177.7
[M+K]+ 287.10441 159.8
[M+H-H2O]+ 231.13851 152.6
[M+HCOO]- 293.13945 173.5
[M+CH3COO]- 307.15510 192.6
[M+Na-2H]- 269.11592 155.3
[M]+ 248.14070 152.8
[M]- 248.14180 152.8
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.