CID 215856

(+-)-1-(4-fluorophenyl)-3-methyl-4-(4-morpholinyl)-1-butanone (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C15H20FNO2
SMILES
CC(CC(=O)C1=CC=C(C=C1)F)CN2CCOCC2
InChI
InChI=1S/C15H20FNO2/c1-12(11-17-6-8-19-9-7-17)10-15(18)13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3
InChIKey
ANRUQSBASHPSLQ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-methyl-4-morpholin-4-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1478 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15508 162.5
[M+Na]+ 288.13702 166.3
[M-H]- 264.14052 165.8
[M+NH4]+ 283.18162 175.6
[M+K]+ 304.11096 164.6
[M+H-H2O]+ 248.14506 153.0
[M+HCOO]- 310.14600 177.5
[M+CH3COO]- 324.16165 197.4
[M+Na-2H]- 286.12247 164.0
[M]+ 265.14725 158.9
[M]- 265.14835 158.9
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.