CID 19080228

2,6-dimethylmorpholine-4-carbonyl chloride

Structural Information

Molecular Formula
C7H12ClNO2
SMILES
CC1CN(CC(O1)C)C(=O)Cl
InChI
InChI=1S/C7H12ClNO2/c1-5-3-9(7(8)10)4-6(2)11-5/h5-6H,3-4H2,1-2H3
InChIKey
ROBIABICEDEGND-UHFFFAOYSA-N
Compound name
2,6-dimethylmorpholine-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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 143.1
[M-H]- 176.048374 137.8
[M+NH4]+ 195.089473 153.9
[M+K]+ 216.018808 142.2
[M+H-H2O]+ 160.052910 130.1
[M+HCOO]- 222.053851 148.9
[M+CH3COO]- 236.069501 178.5
[M+Na-2H]- 198.030316 139.4
[M]+ 177.05510142 135.3
[M]- 177.05619858 135.3
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