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

34
Patents

219.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.9
[M+Na]+ 242.11515 154.9
[M-H]- 218.11865 155.0
[M+NH4]+ 237.15975 165.1
[M+K]+ 258.08909 153.6
[M+H-H2O]+ 202.12319 141.8
[M+HCOO]- 264.12413 167.7
[M+CH3COO]- 278.13978 187.9
[M+Na-2H]- 240.10060 154.4
[M]+ 219.12538 147.4
[M]- 219.12648 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