CID 362952

Nsc627438

Structural Information

Molecular Formula
C16H16O4
SMILES
CC1CC2=C3C(=C(C(=C2O1)O)CC=C)C(=CC(=O)O3)C
InChI
InChI=1S/C16H16O4/c1-4-5-10-13-8(2)6-12(17)20-15(13)11-7-9(3)19-16(11)14(10)18/h4,6,9,18H,1,5,7H2,2-3H3
InChIKey
YPWJPUFMLLHGQD-UHFFFAOYSA-N
Compound name
6-hydroxy-4,8-dimethyl-5-prop-2-enyl-8,9-dihydrofuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10486 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 159.5
[M+Na]+ 295.09408 171.2
[M-H]- 271.09758 166.2
[M+NH4]+ 290.13868 177.6
[M+K]+ 311.06802 168.6
[M+H-H2O]+ 255.10212 154.7
[M+HCOO]- 317.10306 178.3
[M+CH3COO]- 331.11871 199.7
[M+Na-2H]- 293.07953 163.7
[M]+ 272.10431 165.0
[M]- 272.10541 165.0
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.