CID 74845

2025-40-3

Structural Information

Molecular Formula
C12H11NO2
SMILES
CCOC(=O)C(=CC1=CC=CC=C1)C#N
InChI
InChI=1S/C12H11NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKey
KCDAMWRCUXGACP-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

2439
Patents

201.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 147.6
[M+Na]+ 224.06820 156.2
[M-H]- 200.07170 150.5
[M+NH4]+ 219.11280 164.5
[M+K]+ 240.04214 152.9
[M+H-H2O]+ 184.07624 134.9
[M+HCOO]- 246.07718 166.5
[M+CH3COO]- 260.09283 196.1
[M+Na-2H]- 222.05365 151.2
[M]+ 201.07843 143.4
[M]- 201.07953 143.4
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.