CID 131752688

(3z)-8-methyl-3-[(4-methyl-5-oxo-2h-furan-2-yl)oxymethylidene]-4,5,6,7,8,8b-hexahydro-3ah-indeno[1,2-b]furan-2-one

Structural Information

Molecular Formula
C18H20O5
SMILES
CC1CCCC2=C1C3C(C2)/C(=C/OC4C=C(C(=O)O4)C)/C(=O)O3
InChI
InChI=1S/C18H20O5/c1-9-4-3-5-11-7-12-13(18(20)23-16(12)15(9)11)8-21-14-6-10(2)17(19)22-14/h6,8-9,12,14,16H,3-5,7H2,1-2H3/b13-8-
InChIKey
KHSREFIWULNDAB-JYRVWZFOSA-N
Compound name
(3Z)-8-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-4,5,6,7,8,8b-hexahydro-3aH-indeno[1,2-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.13107 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 172.5
[M+Na]+ 339.12029 180.6
[M-H]- 315.12379 182.6
[M+NH4]+ 334.16489 192.1
[M+K]+ 355.09423 178.7
[M+H-H2O]+ 299.12833 170.1
[M+HCOO]- 361.12927 189.6
[M+CH3COO]- 375.14492 206.8
[M+Na-2H]- 337.10574 169.6
[M]+ 316.13052 174.5
[M]- 316.13162 174.5
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.