CID 367933

2-propenoic acid, 2-cyano-3-[4-(dimethylamino)phenyl]-

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)O
InChI
InChI=1S/C12H12N2O2/c1-14(2)11-5-3-9(4-6-11)7-10(8-13)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKey
CXZXLLVNQYUMAW-UHFFFAOYSA-N
Compound name
2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

41
Patents

216.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 150.8
[M+Na]+ 239.07909 160.7
[M+NH4]+ 234.12369 154.2
[M+K]+ 255.05303 152.8
[M-H]- 215.08259 144.7
[M+Na-2H]- 237.06454 153.1
[M]+ 216.08932 149.4
[M]- 216.09042 149.4
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