CID 3742076

3-(naphthalen-2-yl)-2-oxopropanoic acid

Structural Information

Molecular Formula
C13H10O3
SMILES
C1=CC=C2C=C(C=CC2=C1)CC(=O)C(=O)O
InChI
InChI=1S/C13H10O3/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,15,16)
InChIKey
GTZXBCWKXWCNNO-UHFFFAOYSA-N
Compound name
3-naphthalen-2-yl-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

214.06299 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07027 144.8
[M+Na]+ 237.05221 157.8
[M+NH4]+ 232.09681 152.9
[M+K]+ 253.02615 151.7
[M-H]- 213.05571 146.4
[M+Na-2H]- 235.03766 151.1
[M]+ 214.06244 147.0
[M]- 214.06354 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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