CID 24271569

2-(3-chlorophenyl)-5,5-dimethylmorpholine

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CC1(COC(CN1)C2=CC(=CC=C2)Cl)C
InChI
InChI=1S/C12H16ClNO/c1-12(2)8-15-11(7-14-12)9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3
InChIKey
OFJQFAKNSFCCTE-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-5,5-dimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 149.2
[M+Na]+ 248.081258 156.8
[M-H]- 224.084764 153.4
[M+NH4]+ 243.125863 166.9
[M+K]+ 264.055198 153.0
[M+H-H2O]+ 208.089300 142.9
[M+HCOO]- 270.090241 161.8
[M+CH3COO]- 284.105891 161.0
[M+Na-2H]- 246.066706 154.8
[M]+ 225.09149142 147.0
[M]- 225.09258858 147.0
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.