CID 9543377

Cis-4-(2-hydroxynaph-3-yl)-2-oxobut-3-enoate

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C2C=C(C(=CC2=C1)/C=C\C(=O)C(=O)O)O
InChI
InChI=1S/C14H10O4/c15-12(14(17)18)6-5-11-7-9-3-1-2-4-10(9)8-13(11)16/h1-8,16H,(H,17,18)/b6-5-
InChIKey
LVEQUEJWJRJCST-WAYWQWQTSA-N
Compound name
(Z)-4-(3-hydroxynaphthalen-2-yl)-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

242.0579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 151.8
[M+Na]+ 265.04712 164.0
[M+NH4]+ 260.09172 158.5
[M+K]+ 281.02106 158.7
[M-H]- 241.05062 152.1
[M+Na-2H]- 263.03257 156.4
[M]+ 242.05735 153.4
[M]- 242.05845 153.4
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

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