CID 288839

1-(morpholin-4-yl)-4-phenylbutan-1-one

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1COCCN1C(=O)CCCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKey
VCWRKWJSYZSPEJ-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-4-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

233.14159 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.9
[M+Na]+ 256.13081 158.5
[M-H]- 232.13431 159.3
[M+NH4]+ 251.17541 169.3
[M+K]+ 272.10475 157.0
[M+H-H2O]+ 216.13885 146.3
[M+HCOO]- 278.13979 172.4
[M+CH3COO]- 292.15544 189.1
[M+Na-2H]- 254.11626 159.5
[M]+ 233.14104 152.2
[M]- 233.14214 152.2
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