CID 256821

Ethyl 2-naphthylacetate

Structural Information

Molecular Formula
C14H14O2
SMILES
CCOC(=O)CC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H14O2/c1-2-16-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3
InChIKey
PZNMRIQALHUBSJ-UHFFFAOYSA-N
Compound name
ethyl 2-naphthalen-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

214.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 146.6
[M+Na]+ 237.08860 154.3
[M-H]- 213.09210 151.1
[M+NH4]+ 232.13320 166.4
[M+K]+ 253.06254 151.4
[M+H-H2O]+ 197.09664 140.2
[M+HCOO]- 259.09758 169.1
[M+CH3COO]- 273.11323 188.3
[M+Na-2H]- 235.07405 153.5
[M]+ 214.09883 148.9
[M]- 214.09993 148.9
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