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

48
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

literature stripe

Patent stripe

patents stripe