CID 4454398

2-propenoic acid, 3-(2-naphthalenyl)-, ethyl ester

Structural Information

Molecular Formula
C15H14O2
SMILES
CCOC(=O)C=CC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C15H14O2/c1-2-17-15(16)10-8-12-7-9-13-5-3-4-6-14(13)11-12/h3-11H,2H2,1H3
InChIKey
VARFCVWJZNTTAQ-UHFFFAOYSA-N
Compound name
ethyl 3-naphthalen-2-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

226.09938 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 150.2
[M+Na]+ 249.088598 157.8
[M-H]- 225.092104 154.5
[M+NH4]+ 244.133203 169.5
[M+K]+ 265.062538 154.0
[M+H-H2O]+ 209.096640 143.6
[M+HCOO]- 271.097581 172.6
[M+CH3COO]- 285.113231 189.8
[M+Na-2H]- 247.074046 156.6
[M]+ 226.09883142 152.1
[M]- 226.09992858 152.1
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

patents stripe