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

5
Patents

233.14159 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 154.9
[M+Na]+ 256.130808 158.5
[M-H]- 232.134314 159.3
[M+NH4]+ 251.175413 169.3
[M+K]+ 272.104748 157.0
[M+H-H2O]+ 216.138850 146.3
[M+HCOO]- 278.139791 172.4
[M+CH3COO]- 292.155441 189.1
[M+Na-2H]- 254.116256 159.5
[M]+ 233.14104142 152.2
[M]- 233.14213858 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