CID 168007568

(11r)-19-hydroxycarlactone

Structural Information

Molecular Formula
C19H26O4
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C\O[C@H]2C=C(C(=O)O2)C)/CO
InChI
InChI=1S/C19H26O4/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/h7-8,10,12,17,20H,5-6,9,11H2,1-4H3/b8-7+,15-12+/t17-/m1/s1
InChIKey
QPLXYEHYTUWHNG-TYVCBRTJSA-N
Compound name
(2R)-2-[(1E,3E)-2-(hydroxymethyl)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]-4-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1831 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19038 177.4
[M+Na]+ 341.17232 186.8
[M+NH4]+ 336.21692 184.5
[M+K]+ 357.14626 181.3
[M-H]- 317.17582 179.7
[M+Na-2H]- 339.15777 180.4
[M]+ 318.18255 179.2
[M]- 318.18365 179.2
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.