CID 16006

Methyl 2-naphthalenyloxyacetate

Structural Information

Molecular Formula
C13H12O3
SMILES
COC(=O)COC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H12O3/c1-15-13(14)9-16-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChIKey
LDPICKNRMIPLLJ-UHFFFAOYSA-N
Compound name
methyl 2-naphthalen-1-yloxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

216.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 145.1
[M+Na]+ 239.06786 153.1
[M-H]- 215.07136 149.7
[M+NH4]+ 234.11246 164.7
[M+K]+ 255.04180 151.0
[M+H-H2O]+ 199.07590 138.6
[M+HCOO]- 261.07684 168.1
[M+CH3COO]- 275.09249 187.4
[M+Na-2H]- 237.05331 152.6
[M]+ 216.07809 148.5
[M]- 216.07919 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