CID 348326

7498-85-3

Structural Information

Molecular Formula
C16H13NO2
SMILES
CCOC(=O)C(=CC1=CC=CC2=CC=CC=C21)C#N
InChI
InChI=1S/C16H13NO2/c1-2-19-16(18)14(11-17)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-10H,2H2,1H3
InChIKey
LKIMUVKEQPRZFV-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-naphthalen-1-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

251.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 162.5
[M+Na]+ 274.08386 172.0
[M-H]- 250.08736 165.9
[M+NH4]+ 269.12846 178.6
[M+K]+ 290.05780 165.9
[M+H-H2O]+ 234.09190 149.4
[M+HCOO]- 296.09284 180.0
[M+CH3COO]- 310.10849 205.7
[M+Na-2H]- 272.06931 166.2
[M]+ 251.09409 158.6
[M]- 251.09519 158.6
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

No patent data available for this compound.