CID 5322246

7-hydroxy-4-propyl-2h-chromen-2-one

Structural Information

Molecular Formula
C12H12O3
SMILES
CCCC1=CC(=O)OC2=C1C=CC(=C2)O
InChI
InChI=1S/C12H12O3/c1-2-3-8-6-12(14)15-11-7-9(13)4-5-10(8)11/h4-7,13H,2-3H2,1H3
InChIKey
GQJVOVBBBZRUBH-UHFFFAOYSA-N
Compound name
7-hydroxy-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

44
Patents

204.07864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 140.2
[M+Na]+ 227.06786 150.5
[M-H]- 203.07136 145.0
[M+NH4]+ 222.11246 159.1
[M+K]+ 243.04180 148.3
[M+H-H2O]+ 187.07590 134.5
[M+HCOO]- 249.07684 162.2
[M+CH3COO]- 263.09249 184.1
[M+Na-2H]- 225.05331 148.5
[M]+ 204.07809 143.7
[M]- 204.07919 143.7
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