CID 8271945

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

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1COCCN1C2=CC=C(C=C2)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C14H14N2O3/c15-10-12(14(17)18)9-11-1-3-13(4-2-11)16-5-7-19-8-6-16/h1-4,9H,5-8H2,(H,17,18)/b12-9+
InChIKey
HWGRTFSVKFEGGE-FMIVXFBMSA-N
Compound name
(E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 159.1
[M+Na]+ 281.08965 165.7
[M-H]- 257.09315 161.4
[M+NH4]+ 276.13425 170.1
[M+K]+ 297.06359 161.9
[M+H-H2O]+ 241.09769 144.4
[M+HCOO]- 303.09863 171.4
[M+CH3COO]- 317.11428 202.4
[M+Na-2H]- 279.07510 161.1
[M]+ 258.09988 150.1
[M]- 258.10098 150.1
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

No patent data available for this compound.