CID 23274496

7-(pentyloxy)-2h-1-benzopyran-2-one

Structural Information

Molecular Formula
C14H16O3
SMILES
CCCCCOC1=CC2=C(C=C1)C=CC(=O)O2
InChI
InChI=1S/C14H16O3/c1-2-3-4-9-16-12-7-5-11-6-8-14(15)17-13(11)10-12/h5-8,10H,2-4,9H2,1H3
InChIKey
AUCNGVTWAHBDRJ-UHFFFAOYSA-N
Compound name
7-pentoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.10994 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11722 149.7
[M+Na]+ 255.09916 164.5
[M+NH4]+ 250.14376 158.4
[M+K]+ 271.07310 156.8
[M-H]- 231.10266 153.9
[M+Na-2H]- 253.08461 156.4
[M]+ 232.10939 153.1
[M]- 232.11049 153.1
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

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