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

21
Patents

217.0739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 150.3
[M+Na]+ 240.06312 159.1
[M-H]- 216.06662 152.2
[M+NH4]+ 235.10772 166.1
[M+K]+ 256.03706 155.8
[M+H-H2O]+ 200.07116 137.8
[M+HCOO]- 262.07210 168.1
[M+CH3COO]- 276.08775 197.3
[M+Na-2H]- 238.04857 152.8
[M]+ 217.07335 146.0
[M]- 217.07445 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