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
1
Annotation Hits

3
References

44
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 152.9
[M+Na]+ 239.07909 160.8
[M-H]- 215.08259 155.9
[M+NH4]+ 234.12369 168.9
[M+K]+ 255.05303 158.5
[M+H-H2O]+ 199.08713 139.9
[M+HCOO]- 261.08807 171.6
[M+CH3COO]- 275.10372 203.0
[M+Na-2H]- 237.06454 154.7
[M]+ 216.08932 147.6
[M]- 216.09042 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

patents stripe