CID 157010073

Taraxinic acid

Structural Information

Molecular Formula
C15H18O4
SMILES
C/C/1=C/C2C(CC/C(=C\CC1)/C(=O)O)C(=C)C(=O)O2
InChI
InChI=1S/C15H18O4/c1-9-4-3-5-11(14(16)17)6-7-12-10(2)15(18)19-13(12)8-9/h5,8,12-13H,2-4,6-7H2,1H3,(H,16,17)/b9-8-,11-5+
InChIKey
KZWCOWFKXMTBRH-IMDCMVKOSA-N
Compound name
(6E,10Z)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1205 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 157.6
[M+Na]+ 285.10972 167.1
[M+NH4]+ 280.15432 163.3
[M+K]+ 301.08366 164.3
[M-H]- 261.11322 158.9
[M+Na-2H]- 283.09517 158.6
[M]+ 262.11995 158.7
[M]- 262.12105 158.7
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

No patent data available for this compound.