CID 456854

A 121

Structural Information

Molecular Formula
C18H30O5
SMILES
CC(C(C(C(=O)CC1(C=COC1(C)C(C)(C)C=C)C)O)OC)O
InChI
InChI=1S/C18H30O5/c1-8-16(3,4)18(6)17(5,9-10-23-18)11-13(20)14(21)15(22-7)12(2)19/h8-10,12,14-15,19,21H,1,11H2,2-7H3
InChIKey
BSIAHHIPMGVHJM-UHFFFAOYSA-N
Compound name
1-[2,3-dimethyl-2-(2-methylbut-3-en-2-yl)furan-3-yl]-3,5-dihydroxy-4-methoxyhexan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

326.20932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21660 176.7
[M+Na]+ 349.19854 180.8
[M-H]- 325.20204 177.5
[M+NH4]+ 344.24314 193.7
[M+K]+ 365.17248 181.0
[M+H-H2O]+ 309.20658 174.4
[M+HCOO]- 371.20752 189.5
[M+CH3COO]- 385.22317 206.5
[M+Na-2H]- 347.18399 176.4
[M]+ 326.20877 180.1
[M]- 326.20987 180.1
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.