CID 612186

Methyl 2-(naphthalen-2-yloxy)acetate

Structural Information

Molecular Formula
C13H12O3
SMILES
COC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H12O3/c1-15-13(14)9-16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3
InChIKey
AMURPBCUFDCTEW-UHFFFAOYSA-N
Compound name
methyl 2-naphthalen-2-yloxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

216.07864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.085916 145.1
[M+Na]+ 239.067858 153.1
[M-H]- 215.071364 149.7
[M+NH4]+ 234.112463 164.7
[M+K]+ 255.041798 151.0
[M+H-H2O]+ 199.075900 138.6
[M+HCOO]- 261.076841 168.1
[M+CH3COO]- 275.092491 187.4
[M+Na-2H]- 237.053306 152.6
[M]+ 216.07809142 148.5
[M]- 216.07918858 148.5
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