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]+ 233.09208 154.1
[M+Na]+ 255.07402 163.0
[M-H]- 231.07752 157.0
[M+NH4]+ 250.11862 169.7
[M+K]+ 271.04796 160.7
[M+H-H2O]+ 215.08206 141.2
[M+HCOO]- 277.08300 173.5
[M+CH3COO]- 291.09865 204.7
[M+Na-2H]- 253.05947 155.7
[M]+ 232.08425 150.2
[M]- 232.08535 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.