CID 3055701

72766-00-8

Structural Information

Molecular Formula
C13H14O4
SMILES
CCC(C1=CC2=C(C=C1)OCCC2=O)C(=O)O
InChI
InChI=1S/C13H14O4/c1-2-9(13(15)16)8-3-4-12-10(7-8)11(14)5-6-17-12/h3-4,7,9H,2,5-6H2,1H3,(H,15,16)
InChIKey
UFGVRLKWGCVRSB-UHFFFAOYSA-N
Compound name
2-(4-oxo-2,3-dihydrochromen-6-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.096476 149.5
[M+Na]+ 257.078418 155.9
[M-H]- 233.081924 153.0
[M+NH4]+ 252.123023 166.2
[M+K]+ 273.052358 154.8
[M+H-H2O]+ 217.086460 143.5
[M+HCOO]- 279.087401 166.5
[M+CH3COO]- 293.103051 189.8
[M+Na-2H]- 255.063866 153.7
[M]+ 234.08865142 149.5
[M]- 234.08974858 149.5
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.