CID 168007644

(11r)-19-oxocarlactone

Structural Information

Molecular Formula
C19H24O4
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C\O[C@H]2C=C(C(=O)O2)C)/C=O
InChI
InChI=1S/C19H24O4/c1-13-6-5-9-19(3,4)16(13)8-7-15(11-20)12-22-17-10-14(2)18(21)23-17/h7-8,10-12,17H,5-6,9H2,1-4H3/b8-7+,15-12+/t17-/m1/s1
InChIKey
LFLCTJPNVBWOOI-TYVCBRTJSA-N
Compound name
(E,2E)-2-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16745 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17473 176.0
[M+Na]+ 339.15667 186.0
[M+NH4]+ 334.20127 183.1
[M+K]+ 355.13061 180.1
[M-H]- 315.16017 178.6
[M+Na-2H]- 337.14212 179.5
[M]+ 316.16690 178.0
[M]- 316.16800 178.0
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.