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]+ 226.09932 149.2
[M+Na]+ 248.08126 156.8
[M-H]- 224.08476 153.4
[M+NH4]+ 243.12586 166.9
[M+K]+ 264.05520 153.0
[M+H-H2O]+ 208.08930 142.9
[M+HCOO]- 270.09024 161.8
[M+CH3COO]- 284.10589 161.0
[M+Na-2H]- 246.06671 154.8
[M]+ 225.09149 147.0
[M]- 225.09259 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.