CID 242544

1886-52-8

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: 2
References: 26
Patents: 244.12119 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.12847	158.3
[M+Na]+	267.11041	168.3
[M+NH4]+	262.15501	161.7
[M+K]+	283.08435	159.7
[M-H]-	243.11391	152.6
[M+Na-2H]-	265.09586	160.7
[M]+	244.12064	157.0
[M]-	244.12174	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe