CID 5826293

Einecs 301-009-5

Structural Information

Molecular Formula
C14H15NO3
SMILES
CCCOC(=O)/C(=C/C1=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/b12-9+
InChIKey
MAZUUFMIUTXWHD-FMIVXFBMSA-N
Compound name
propyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
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 157.0
[M+Na]+ 268.09442 165.5
[M-H]- 244.09792 159.9
[M+NH4]+ 263.13902 172.6
[M+K]+ 284.06836 162.6
[M+H-H2O]+ 228.10246 144.0
[M+HCOO]- 290.10340 175.6
[M+CH3COO]- 304.11905 204.4
[M+Na-2H]- 266.07987 159.2
[M]+ 245.10465 155.1
[M]- 245.10575 155.1
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