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 145.4
[M+Na]+ 239.06786 152.5
[M-H]- 215.07136 148.6
[M+NH4]+ 234.11246 164.1
[M+K]+ 255.04180 150.1
[M+H-H2O]+ 199.07590 139.3
[M+HCOO]- 261.07684 165.9
[M+CH3COO]- 275.09249 186.4
[M+Na-2H]- 237.05331 151.2
[M]+ 216.07809 146.4
[M]- 216.07919 146.4
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.