CID 13681874

3-(naphthalen-2-yloxy)propanoic acid

Structural Information

Molecular Formula
C13H12O3
SMILES
C1=CC=C2C=C(C=CC2=C1)OCCC(=O)O
InChI
InChI=1S/C13H12O3/c14-13(15)7-8-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,14,15)
InChIKey
DHSIEHJZSPBHQA-UHFFFAOYSA-N
Compound name
3-naphthalen-2-yloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

216.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 145.2
[M+Na]+ 239.06786 152.7
[M-H]- 215.07136 148.4
[M+NH4]+ 234.11246 164.0
[M+K]+ 255.04180 149.7
[M+H-H2O]+ 199.07590 139.0
[M+HCOO]- 261.07684 166.7
[M+CH3COO]- 275.09249 185.5
[M+Na-2H]- 237.05331 152.3
[M]+ 216.07809 146.9
[M]- 216.07919 146.9
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

patents stripe