CID 736727

116373-33-2

Structural Information

Molecular Formula
C12H12N2O3
SMILES
COC1=CC(=C(C=C1)OC)/C=C(/C#N)\C(=O)N
InChI
InChI=1S/C12H12N2O3/c1-16-10-3-4-11(17-2)8(6-10)5-9(7-13)12(14)15/h3-6H,1-2H3,(H2,14,15)/b9-5-
InChIKey
WQEIGMGVBKSQGL-UITAMQMPSA-N
Compound name
(Z)-2-cyano-3-(2,5-dimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 154.1
[M+Na]+ 255.074018 163.0
[M-H]- 231.077524 157.0
[M+NH4]+ 250.118623 169.7
[M+K]+ 271.047958 160.7
[M+H-H2O]+ 215.082060 141.2
[M+HCOO]- 277.083001 173.5
[M+CH3COO]- 291.098651 204.7
[M+Na-2H]- 253.059466 155.7
[M]+ 232.08425142 150.2
[M]- 232.08534858 150.2
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.