CID 43367106

2-(3-chlorophenyl)-5-methylmorpholine

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC1COC(CN1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H14ClNO/c1-8-7-14-11(6-13-8)9-3-2-4-10(12)5-9/h2-5,8,11,13H,6-7H2,1H3
InChIKey
DAGWNRUYMBGFSV-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-5-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

211.07639 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 145.7
[M+Na]+ 234.065608 152.9
[M-H]- 210.069114 149.7
[M+NH4]+ 229.110213 162.0
[M+K]+ 250.039548 149.0
[M+H-H2O]+ 194.073650 139.1
[M+HCOO]- 256.074591 158.6
[M+CH3COO]- 270.090241 157.5
[M+Na-2H]- 232.051056 150.8
[M]+ 211.07584142 142.9
[M]- 211.07693858 142.9
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

patents stripe