CID 441317

2-hydroxy-4-(1-oxo-1,3-dihydro-2h-inden-2-ylidene)but-2-enoate

Structural Information

Molecular Formula
C13H10O4
SMILES
C1C2=CC=CC=C2C(=C1C=CC(=O)C(=O)O)O
InChI
InChI=1S/C13H10O4/c14-11(13(16)17)6-5-9-7-8-3-1-2-4-10(8)12(9)15/h1-6,15H,7H2,(H,16,17)
InChIKey
TZHPVCGDTIPJKU-UHFFFAOYSA-N
Compound name
4-(3-hydroxy-1H-inden-2-yl)-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

230.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 149.9
[M+Na]+ 253.04712 160.1
[M+NH4]+ 248.09172 156.4
[M+K]+ 269.02106 157.4
[M-H]- 229.05062 149.2
[M+Na-2H]- 251.03257 152.6
[M]+ 230.05735 150.7
[M]- 230.05845 150.7
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

patents stripe