CID 3086384

Propyl 2-cyano-3-(4-methoxyphenyl)acrylate

Structural Information

Molecular Formula
C14H15NO3
SMILES
CCCOC(=O)C(=CC1=CC=C(C=C1)OC)C#N
InChI
InChI=1S/C14H15NO3/c1-3-8-18-14(16)12(10-15)9-11-4-6-13(17-2)7-5-11/h4-7,9H,3,8H2,1-2H3
InChIKey
MAZUUFMIUTXWHD-UHFFFAOYSA-N
Compound name
propyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

245.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 156.1
[M+Na]+ 268.09442 166.7
[M+NH4]+ 263.13902 159.3
[M+K]+ 284.06836 157.9
[M-H]- 244.09792 149.5
[M+Na-2H]- 266.07987 158.3
[M]+ 245.10465 154.7
[M]- 245.10575 154.7
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