CID 10013543

(s)-alpha-methoxy-2-naphthylacetic acid

Structural Information

Molecular Formula
C13H12O3
SMILES
CO[C@@H](C1=CC=CC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C13H12O3/c1-16-12(13(14)15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3,(H,14,15)/t12-/m0/s1
InChIKey
MIQWXVUTCSGZIZ-LBPRGKRZSA-N
Compound name
(2S)-2-methoxy-2-naphthalen-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 145.6
[M+Na]+ 239.06786 158.6
[M+NH4]+ 234.11246 154.0
[M+K]+ 255.04180 152.6
[M-H]- 215.07136 147.5
[M+Na-2H]- 237.05331 152.0
[M]+ 216.07809 147.9
[M]- 216.07919 147.9
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

No patent data available for this compound.