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

30
Patents

226.09938 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 150.2
[M+Na]+ 249.08860 157.8
[M-H]- 225.09210 154.5
[M+NH4]+ 244.13320 169.5
[M+K]+ 265.06254 154.0
[M+H-H2O]+ 209.09664 143.6
[M+HCOO]- 271.09758 172.6
[M+CH3COO]- 285.11323 189.8
[M+Na-2H]- 247.07405 156.6
[M]+ 226.09883 152.1
[M]- 226.09993 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