CID 3066051

2-(4-chlorophenyl)-2-ethylmorpholine hydrochloride

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CCC1(CNCCO1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H16ClNO/c1-2-12(9-14-7-8-15-12)10-3-5-11(13)6-4-10/h3-6,14H,2,7-9H2,1H3
InChIKey
RULHPWGYARHHOY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-ethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 149.5
[M+Na]+ 248.08126 156.2
[M-H]- 224.08476 153.4
[M+NH4]+ 243.12586 166.9
[M+K]+ 264.05520 152.4
[M+H-H2O]+ 208.08930 142.9
[M+HCOO]- 270.09024 162.2
[M+CH3COO]- 284.10589 160.9
[M+Na-2H]- 246.06671 155.8
[M]+ 225.09149 146.9
[M]- 225.09259 146.9
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.