CID 5378621

5,7-dihydroxy-2-nonyl-chromen-4-one

Structural Information

Molecular Formula
C18H24O4
SMILES
CCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O
InChI
InChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-9-14-12-16(21)18-15(20)10-13(19)11-17(18)22-14/h10-12,19-20H,2-9H2,1H3
InChIKey
GNPQWPVJZHHCFA-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-nonylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

304.16745 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17473 172.2
[M+Na]+ 327.15667 180.0
[M-H]- 303.16017 174.7
[M+NH4]+ 322.20127 186.3
[M+K]+ 343.13061 176.3
[M+H-H2O]+ 287.16471 165.3
[M+HCOO]- 349.16565 190.6
[M+CH3COO]- 363.18130 203.2
[M+Na-2H]- 325.14212 175.9
[M]+ 304.16690 177.6
[M]- 304.16800 177.6
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