CID 1212558

1-furyl-5-morpholino-1-penten-3-one hydrochloride

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1COCCN1CCC(=O)/C=C/C2=CC=CO2
InChI
InChI=1S/C13H17NO3/c15-12(3-4-13-2-1-9-17-13)5-6-14-7-10-16-11-8-14/h1-4,9H,5-8,10-11H2/b4-3+
InChIKey
BTERMAXWAWDWAN-ONEGZZNKSA-N
Compound name
(E)-1-(furan-2-yl)-5-morpholin-4-ylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 155.0
[M+Na]+ 258.11007 165.2
[M+NH4]+ 253.15467 161.9
[M+K]+ 274.08401 161.7
[M-H]- 234.11357 159.1
[M+Na-2H]- 256.09552 158.9
[M]+ 235.12030 157.4
[M]- 235.12140 157.4
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.