CID 54677775

4-hydroxy-3-pentanoyl-2h-chromen-2-one

Structural Information

Molecular Formula
C14H14O4
SMILES
CCCCC(=O)C1=C(C2=CC=CC=C2OC1=O)O
InChI
InChI=1S/C14H14O4/c1-2-3-7-10(15)12-13(16)9-6-4-5-8-11(9)18-14(12)17/h4-6,8,16H,2-3,7H2,1H3
InChIKey
UOUQUFVBCJNHNY-UHFFFAOYSA-N
Compound name
4-hydroxy-3-pentanoylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

246.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 151.7
[M+Na]+ 269.07842 160.9
[M-H]- 245.08192 156.2
[M+NH4]+ 264.12302 168.5
[M+K]+ 285.05236 158.8
[M+H-H2O]+ 229.08646 145.5
[M+HCOO]- 291.08740 172.3
[M+CH3COO]- 305.10305 192.4
[M+Na-2H]- 267.06387 157.7
[M]+ 246.08865 155.9
[M]- 246.08975 155.9
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

No patent data available for this compound.