CID 194753

4-(6-methylnaphthalen-2-yl)-4-oxobut-2-enoic acid

Structural Information

Molecular Formula
C15H12O3
SMILES
CC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC(=O)O
InChI
InChI=1S/C15H12O3/c1-10-2-3-12-9-13(5-4-11(12)8-10)14(16)6-7-15(17)18/h2-9H,1H3,(H,17,18)
InChIKey
HEMRODJABLVZTQ-UHFFFAOYSA-N
Compound name
4-(6-methylnaphthalen-2-yl)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

240.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 152.7
[M+Na]+ 263.06786 165.7
[M+NH4]+ 258.11246 160.2
[M+K]+ 279.04180 159.3
[M-H]- 239.07136 154.1
[M+Na-2H]- 261.05331 158.1
[M]+ 240.07809 154.8
[M]- 240.07919 154.8
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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