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 154.6
[M+Na]+ 258.11007 158.9
[M-H]- 234.11357 159.8
[M+NH4]+ 253.15467 169.3
[M+K]+ 274.08401 158.6
[M+H-H2O]+ 218.11811 147.1
[M+HCOO]- 280.11905 172.6
[M+CH3COO]- 294.13470 187.5
[M+Na-2H]- 256.09552 157.9
[M]+ 235.12030 153.6
[M]- 235.12140 153.6
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.