CID 9776839

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

Structural Information

Molecular Formula
C13H10O4
SMILES
C1C2=CC=CC=C2/C(=C/C=C(\C(=O)O)/O)/C1=O
InChI
InChI=1S/C13H10O4/c14-11(13(16)17)6-5-10-9-4-2-1-3-8(9)7-12(10)15/h1-6,14H,7H2,(H,16,17)/b10-5-,11-6+
InChIKey
XWPYRLHJCKHRRG-JZKFVHIFSA-N
Compound name
(E,4Z)-2-hydroxy-4-(2-oxo-3H-inden-1-ylidene)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

230.0579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 149.3
[M+Na]+ 253.04712 156.8
[M-H]- 229.05062 151.2
[M+NH4]+ 248.09172 168.6
[M+K]+ 269.02106 152.5
[M+H-H2O]+ 213.05516 144.5
[M+HCOO]- 275.05610 168.3
[M+CH3COO]- 289.07175 183.7
[M+Na-2H]- 251.03257 150.6
[M]+ 230.05735 147.3
[M]- 230.05845 147.3
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

patents stripe