CID 3066051

109461-23-6

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]+ 226.099316 149.5
[M+Na]+ 248.081258 156.2
[M-H]- 224.084764 153.4
[M+NH4]+ 243.125863 166.9
[M+K]+ 264.055198 152.4
[M+H-H2O]+ 208.089300 142.9
[M+HCOO]- 270.090241 162.2
[M+CH3COO]- 284.105891 160.9
[M+Na-2H]- 246.066706 155.8
[M]+ 225.09149142 146.9
[M]- 225.09258858 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.