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 148.9
[M+Na]+ 253.04712 157.0
[M-H]- 229.05062 151.2
[M+NH4]+ 248.09172 168.3
[M+K]+ 269.02106 153.2
[M+H-H2O]+ 213.05516 144.0
[M+HCOO]- 275.05610 169.2
[M+CH3COO]- 289.07175 184.8
[M+Na-2H]- 251.03257 151.2
[M]+ 230.05735 149.2
[M]- 230.05845 149.2
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