CID 13774070

4-benzyl-3-(chloromethyl)morpholine

Structural Information

Molecular Formula
C12H16ClNO
SMILES
C1COCC(N1CC2=CC=CC=C2)CCl
InChI
InChI=1S/C12H16ClNO/c13-8-12-10-15-7-6-14(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey
MSRCVCNYPADFER-UHFFFAOYSA-N
Compound name
4-benzyl-3-(chloromethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

225.09204 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 149.5
[M+Na]+ 248.08126 164.1
[M+NH4]+ 243.12586 159.2
[M+K]+ 264.05520 155.7
[M-H]- 224.08476 155.2
[M+Na-2H]- 246.06671 157.6
[M]+ 225.09149 153.6
[M]- 225.09259 153.6
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