CID 43562647

2-chloro-1-(2-ethylmorpholin-4-yl)ethan-1-one

Structural Information

Molecular Formula
C8H14ClNO2
SMILES
CCC1CN(CCO1)C(=O)CCl
InChI
InChI=1S/C8H14ClNO2/c1-2-7-6-10(3-4-12-7)8(11)5-9/h7H,2-6H2,1H3
InChIKey
QRXDPRNAEJRKPQ-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-ethylmorpholin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.0713 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07858 140.4
[M+Na]+ 214.06052 146.9
[M-H]- 190.06402 142.5
[M+NH4]+ 209.10512 158.2
[M+K]+ 230.03446 145.8
[M+H-H2O]+ 174.06856 134.8
[M+HCOO]- 236.06950 153.8
[M+CH3COO]- 250.08515 180.3
[M+Na-2H]- 212.04597 144.7
[M]+ 191.07075 140.5
[M]- 191.07185 140.5
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