CID 257098

Ethyl beta-cyano-3,4-dimethyl-alpha-hydroxycinnamate

Structural Information

Molecular Formula
C14H15NO3
SMILES
CCOC(=O)C(=C(C#N)C1=CC(=C(C=C1)C)C)O
InChI
InChI=1S/C14H15NO3/c1-4-18-14(17)13(16)12(8-15)11-6-5-9(2)10(3)7-11/h5-7,16H,4H2,1-3H3
InChIKey
RGXNMCKUDPGCJB-UHFFFAOYSA-N
Compound name
ethyl 3-cyano-3-(3,4-dimethylphenyl)-2-hydroxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 155.2
[M+Na]+ 268.09442 165.3
[M+NH4]+ 263.13902 157.9
[M+K]+ 284.06836 157.7
[M-H]- 244.09792 147.9
[M+Na-2H]- 266.07987 156.4
[M]+ 245.10465 153.5
[M]- 245.10575 153.5
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.