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 155.2
[M+Na]+ 285.10972 162.3
[M-H]- 261.11322 156.6
[M+NH4]+ 280.15432 170.5
[M+K]+ 301.08366 160.9
[M+H-H2O]+ 245.11776 153.9
[M+HCOO]- 307.11870 171.7
[M+CH3COO]- 321.13435 190.7
[M+Na-2H]- 283.09517 154.8
[M]+ 262.11995 151.4
[M]- 262.12105 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.