CID 242544

Ethyl alpha-cyano-4-(dimethylamino)cinnamate

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCOC(=O)C(=CC1=CC=C(C=C1)N(C)C)C#N
InChI
InChI=1S/C14H16N2O2/c1-4-18-14(17)12(10-15)9-11-5-7-13(8-6-11)16(2)3/h5-9H,4H2,1-3H3
InChIKey
UWWFWHASAAPOLK-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

244.12119 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.128466 159.7
[M+Na]+ 267.110408 167.4
[M-H]- 243.113914 163.7
[M+NH4]+ 262.155013 175.5
[M+K]+ 283.084348 165.3
[M+H-H2O]+ 227.118450 146.2
[M+HCOO]- 289.119391 179.3
[M+CH3COO]- 303.135041 210.1
[M+Na-2H]- 265.095856 161.2
[M]+ 244.12064142 156.8
[M]- 244.12173858 156.8
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