CID 85362420

Lua43093

Structural Information

Molecular Formula
C17H22O7
SMILES
CC1COC(=O)C2C1C3(CC=C(C(=O)C3OC(=O)C)C)C(O2)(C)O
InChI
InChI=1S/C17H22O7/c1-8-5-6-17(14(12(8)19)23-10(3)18)11-9(2)7-22-15(20)13(11)24-16(17,4)21/h5,9,11,13-14,21H,6-7H2,1-4H3
InChIKey
RFOIMKJJHPMORA-UHFFFAOYSA-N
Compound name
(2-hydroxy-2,3',4-trimethyl-2',7-dioxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,6'-cyclohex-3-ene]-1'-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.13657 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14385 170.7
[M+Na]+ 361.12579 179.1
[M-H]- 337.12929 177.4
[M+NH4]+ 356.17039 188.7
[M+K]+ 377.09973 179.4
[M+H-H2O]+ 321.13383 167.4
[M+HCOO]- 383.13477 183.1
[M+CH3COO]- 397.15042 209.1
[M+Na-2H]- 359.11124 172.8
[M]+ 338.13602 172.9
[M]- 338.13712 172.9
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.