CID 2459099

2-propenoicacid,2-cyano-3-(4-ethoxyphenyl)-(9ci)

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C12H11NO3/c1-2-16-11-5-3-9(4-6-11)7-10(8-13)12(14)15/h3-7H,2H2,1H3,(H,14,15)/b10-7+
InChIKey
MYBMSWJVQCPVJH-JXMROGBWSA-N
Compound name
(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

217.0739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 150.3
[M+Na]+ 240.063118 159.1
[M-H]- 216.066624 152.2
[M+NH4]+ 235.107723 166.1
[M+K]+ 256.037058 155.8
[M+H-H2O]+ 200.071160 137.8
[M+HCOO]- 262.072101 168.1
[M+CH3COO]- 276.087751 197.3
[M+Na-2H]- 238.048566 152.8
[M]+ 217.07335142 146.0
[M]- 217.07444858 146.0
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