CID 5480019

1-hydroxy-7,9-dimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Structural Information

Molecular Formula
C20H26O3
SMILES
CCCCCC1=CC(=C2C3=C(C(CC(C3)C)C)C(=O)OC2=C1)O
InChI
InChI=1S/C20H26O3/c1-4-5-6-7-14-10-16(21)19-15-9-12(2)8-13(3)18(15)20(22)23-17(19)11-14/h10-13,21H,4-9H2,1-3H3
InChIKey
LPJYNAMZMWFRNL-UHFFFAOYSA-N
Compound name
1-hydroxy-7,9-dimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1882 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 175.4
[M+Na]+ 337.17742 183.9
[M-H]- 313.18092 180.1
[M+NH4]+ 332.22202 191.1
[M+K]+ 353.15136 179.8
[M+H-H2O]+ 297.18546 168.3
[M+HCOO]- 359.18640 191.0
[M+CH3COO]- 373.20205 210.5
[M+Na-2H]- 335.16287 178.1
[M]+ 314.18765 178.4
[M]- 314.18875 178.4
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.