CID 11020796

1-(4-morpholinophenyl)butan-1-one

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCCC(=O)C1=CC=C(C=C1)N2CCOCC2
InChI
InChI=1S/C14H19NO2/c1-2-3-14(16)12-4-6-13(7-5-12)15-8-10-17-11-9-15/h4-7H,2-3,8-11H2,1H3
InChIKey
JKVSAZTYCZKNDX-UHFFFAOYSA-N
Compound name
1-(4-morpholin-4-ylphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1130
Patents

233.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 154.6
[M+Na]+ 256.130808 159.1
[M-H]- 232.134314 159.4
[M+NH4]+ 251.175413 169.2
[M+K]+ 272.104748 157.6
[M+H-H2O]+ 216.138850 146.2
[M+HCOO]- 278.139791 172.0
[M+CH3COO]- 292.155441 190.9
[M+Na-2H]- 254.116256 158.5
[M]+ 233.14104142 152.4
[M]- 233.14213858 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe