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

19
Patents

177.05565 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06293 135.2
[M+Na]+ 200.04487 143.1
[M-H]- 176.04837 137.8
[M+NH4]+ 195.08947 153.9
[M+K]+ 216.01881 142.2
[M+H-H2O]+ 160.05291 130.1
[M+HCOO]- 222.05385 148.9
[M+CH3COO]- 236.06950 178.5
[M+Na-2H]- 198.03032 139.4
[M]+ 177.05510 135.3
[M]- 177.05620 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