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]+ 192.078576 140.4
[M+Na]+ 214.060518 146.9
[M-H]- 190.064024 142.5
[M+NH4]+ 209.105123 158.2
[M+K]+ 230.034458 145.8
[M+H-H2O]+ 174.068560 134.8
[M+HCOO]- 236.069501 153.8
[M+CH3COO]- 250.085151 180.3
[M+Na-2H]- 212.045966 144.7
[M]+ 191.07075142 140.5
[M]- 191.07184858 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