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

3
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 149.6
[M+Na]+ 255.09916 158.4
[M-H]- 231.10266 155.0
[M+NH4]+ 250.14376 167.7
[M+K]+ 271.07310 156.6
[M+H-H2O]+ 215.10720 142.9
[M+HCOO]- 277.10814 172.3
[M+CH3COO]- 291.12379 191.4
[M+Na-2H]- 253.08461 157.9
[M]+ 232.10939 155.1
[M]- 232.11049 155.1
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.