CID 16495059

4-{[3-(chloromethyl)phenyl]methyl}morpholine hydrochloride

Structural Information

Molecular Formula
C12H16ClNO
SMILES
C1COCCN1CC2=CC(=CC=C2)CCl
InChI
InChI=1S/C12H16ClNO/c13-9-11-2-1-3-12(8-11)10-14-4-6-15-7-5-14/h1-3,8H,4-7,9-10H2
InChIKey
NVMAOAAINXQCCX-UHFFFAOYSA-N
Compound name
4-[[3-(chloromethyl)phenyl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 149.9
[M+Na]+ 248.08126 156.0
[M-H]- 224.08476 154.6
[M+NH4]+ 243.12586 165.9
[M+K]+ 264.05520 152.8
[M+H-H2O]+ 208.08930 142.3
[M+HCOO]- 270.09024 163.9
[M+CH3COO]- 284.10589 186.5
[M+Na-2H]- 246.06671 155.5
[M]+ 225.09149 148.8
[M]- 225.09259 148.8
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