CID 19836714

6-(2-chloroethyl)-3-methyl-1,3-oxazinan-2-one

Structural Information

Molecular Formula
C7H12ClNO2
SMILES
CN1CCC(OC1=O)CCCl
InChI
InChI=1S/C7H12ClNO2/c1-9-5-3-6(2-4-8)11-7(9)10/h6H,2-5H2,1H3
InChIKey
FADOXHFBIDUDJC-UHFFFAOYSA-N
Compound name
6-(2-chloroethyl)-3-methyl-1,3-oxazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.05565 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.062926 135.2
[M+Na]+ 200.044868 143.3
[M-H]- 176.048374 137.7
[M+NH4]+ 195.089473 153.8
[M+K]+ 216.018808 141.9
[M+H-H2O]+ 160.052910 129.9
[M+HCOO]- 222.053851 149.9
[M+CH3COO]- 236.069501 178.3
[M+Na-2H]- 198.030316 140.6
[M]+ 177.05510142 136.0
[M]- 177.05619858 136.0
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