CID 76727

4-(2-chloroethyl)morpholine

Structural Information

Molecular Formula
C6H12ClNO
SMILES
C1COCCN1CCCl
InChI
InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2
InChIKey
ZAPMTSHEXFEPSD-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

11305
Patents

149.06075 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06803 129.6
[M+Na]+ 172.04997 135.9
[M-H]- 148.05347 131.4
[M+NH4]+ 167.09457 148.8
[M+K]+ 188.02391 134.9
[M+H-H2O]+ 132.05801 124.0
[M+HCOO]- 194.05895 144.1
[M+CH3COO]- 208.07460 171.8
[M+Na-2H]- 170.03542 136.8
[M]+ 149.06020 128.4
[M]- 149.06130 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe