CID 44559765

Pergillin

Structural Information

Molecular Formula
C15H16O4
SMILES
CC(=C1C(=O)C2=C(O1)C3=C(CC(OC3)(C)O)C=C2)C
InChI
InChI=1S/C15H16O4/c1-8(2)13-12(16)10-5-4-9-6-15(3,17)18-7-11(9)14(10)19-13/h4-5,17H,6-7H2,1-3H3
InChIKey
MKXDAWJZYZIEIP-UHFFFAOYSA-N
Compound name
7-hydroxy-7-methyl-2-propan-2-ylidene-6,9-dihydrofuro[3,2-h]isochromen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

260.10486 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 156.5
[M+Na]+ 283.09408 165.6
[M-H]- 259.09758 162.2
[M+NH4]+ 278.13868 176.3
[M+K]+ 299.06802 164.1
[M+H-H2O]+ 243.10212 152.3
[M+HCOO]- 305.10306 171.8
[M+CH3COO]- 319.11871 194.6
[M+Na-2H]- 281.07953 160.8
[M]+ 260.10431 157.5
[M]- 260.10541 157.5
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.