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

31
Patents

214.06299 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.070266 144.0
[M+Na]+ 237.052208 151.5
[M-H]- 213.055714 147.3
[M+NH4]+ 232.096813 162.7
[M+K]+ 253.026148 148.4
[M+H-H2O]+ 197.060250 138.0
[M+HCOO]- 259.061191 164.7
[M+CH3COO]- 273.076841 185.5
[M+Na-2H]- 235.037656 149.9
[M]+ 214.06244142 144.3
[M]- 214.06353858 144.3
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