CID 10013543

Refchem:408092

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]+ 217.085916 145.4
[M+Na]+ 239.067858 152.5
[M-H]- 215.071364 148.6
[M+NH4]+ 234.112463 164.1
[M+K]+ 255.041798 150.1
[M+H-H2O]+ 199.075900 139.3
[M+HCOO]- 261.076841 165.9
[M+CH3COO]- 275.092491 186.4
[M+Na-2H]- 237.053306 151.2
[M]+ 216.07809142 146.4
[M]- 216.07918858 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.