CID 3056627

73816-71-4

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCCCN1CCOC(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-2-3-9-15-10-11-17-13(14(15)16)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKey
USRSZUNVXVRVKB-UHFFFAOYSA-N
Compound name
4-butyl-2-phenylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.3
[M+Na]+ 256.13081 160.0
[M-H]- 232.13431 159.4
[M+NH4]+ 251.17541 169.3
[M+K]+ 272.10475 158.1
[M+H-H2O]+ 216.13885 146.0
[M+HCOO]- 278.13979 172.7
[M+CH3COO]- 292.15544 191.2
[M+Na-2H]- 254.11626 158.7
[M]+ 233.14104 153.1
[M]- 233.14214 153.1
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.