CID 367933

2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoic acid

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
2
Annotation Hits

3
References

37
Patents

216.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 152.9
[M+Na]+ 239.079088 160.8
[M-H]- 215.082594 155.9
[M+NH4]+ 234.123693 168.9
[M+K]+ 255.053028 158.5
[M+H-H2O]+ 199.087130 139.9
[M+HCOO]- 261.088071 171.6
[M+CH3COO]- 275.103721 203.0
[M+Na-2H]- 237.064536 154.7
[M]+ 216.08932142 147.6
[M]- 216.09041858 147.6
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.