CID 3056628

73816-72-5

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(C)N1CCOC(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c1-10(2)14-8-9-16-12(13(14)15)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKey
LNELMECWNWZMFL-UHFFFAOYSA-N
Compound name
2-phenyl-4-propan-2-ylmorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 149.7
[M+Na]+ 242.115148 155.6
[M-H]- 218.118654 155.1
[M+NH4]+ 237.159753 165.2
[M+K]+ 258.089088 154.4
[M+H-H2O]+ 202.123190 141.8
[M+HCOO]- 264.124131 167.5
[M+CH3COO]- 278.139781 189.0
[M+Na-2H]- 240.100596 153.5
[M]+ 219.12538142 147.5
[M]- 219.12647858 147.5
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.