CID 207076

Brn 1138481

Structural Information

Molecular Formula
C18H28ClNO2
SMILES
CCC(C)C(CN1CCOCC1)C2=C(C=CC(=C2)Cl)OCC
InChI
InChI=1S/C18H28ClNO2/c1-4-14(3)17(13-20-8-10-21-11-9-20)16-12-15(19)6-7-18(16)22-5-2/h6-7,12,14,17H,4-5,8-11,13H2,1-3H3
InChIKey
UFMKTNYTQKRKIW-UHFFFAOYSA-N
Compound name
4-[2-(5-chloro-2-ethoxyphenyl)-3-methylpentyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.18085 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18813 180.2
[M+Na]+ 348.17007 184.0
[M-H]- 324.17357 184.4
[M+NH4]+ 343.21467 192.2
[M+K]+ 364.14401 180.9
[M+H-H2O]+ 308.17811 171.8
[M+HCOO]- 370.17905 190.4
[M+CH3COO]- 384.19470 209.3
[M+Na-2H]- 346.15552 179.5
[M]+ 325.18030 182.0
[M]- 325.18140 182.0
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.