CID 115274

Naphthoxylactic acid

Structural Information

Molecular Formula
C13H12O4
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(C(=O)O)O
InChI
InChI=1S/C13H12O4/c14-11(13(15)16)8-17-12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11,14H,8H2,(H,15,16)
InChIKey
CFQFHRDQYGTGFA-UHFFFAOYSA-N
Compound name
2-hydroxy-3-naphthalen-1-yloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

42
Patents

232.07356 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 148.7
[M+Na]+ 255.06278 155.3
[M-H]- 231.06628 150.5
[M+NH4]+ 250.10738 165.9
[M+K]+ 271.03672 152.6
[M+H-H2O]+ 215.07082 142.6
[M+HCOO]- 277.07176 167.8
[M+CH3COO]- 291.08741 186.0
[M+Na-2H]- 253.04823 154.1
[M]+ 232.07301 149.3
[M]- 232.07411 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.