CID 14055878

Junosmarin

Structural Information

Molecular Formula
C19H22O6
SMILES
CC(C)CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)O
InChI
InChI=1S/C19H22O6/c1-10(2)9-14(21)24-18-16(22)15-12(25-19(18,3)4)7-5-11-6-8-13(20)23-17(11)15/h5-8,10,16,18,22H,9H2,1-4H3
InChIKey
GWZZKJQYTUFZHD-UHFFFAOYSA-N
Compound name
(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.14163 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 178.2
[M+Na]+ 369.13085 186.8
[M-H]- 345.13435 183.9
[M+NH4]+ 364.17545 192.6
[M+K]+ 385.10479 186.8
[M+H-H2O]+ 329.13889 171.5
[M+HCOO]- 391.13983 192.0
[M+CH3COO]- 405.15548 213.5
[M+Na-2H]- 367.11630 182.4
[M]+ 346.14108 184.1
[M]- 346.14218 184.1
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

patents stripe