CID 420859

13552-45-9

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1=CC=C(C=C1)C(=O)CCN2CCOCC2
InChI
InChI=1S/C14H19NO2/c1-12-2-4-13(5-3-12)14(16)6-7-15-8-10-17-11-9-15/h2-5H,6-11H2,1H3
InChIKey
JGGCAYFMVBIPQG-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
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 154.6
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.