CID 54594331

1-(4-benzylmorpholin-2-yl)ethan-1-one

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(=O)C1CN(CCO1)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c1-11(15)13-10-14(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKey
HYFNBIVNYJGFJD-UHFFFAOYSA-N
Compound name
1-(4-benzylmorpholin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

219.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 149.9
[M+Na]+ 242.115148 154.9
[M-H]- 218.118654 155.0
[M+NH4]+ 237.159753 165.1
[M+K]+ 258.089088 153.6
[M+H-H2O]+ 202.123190 141.8
[M+HCOO]- 264.124131 167.7
[M+CH3COO]- 278.139781 187.9
[M+Na-2H]- 240.100596 154.4
[M]+ 219.12538142 147.4
[M]- 219.12647858 147.4
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

patents stripe