CID 6605262

2-chloro-6-morpholinopyran-4-one

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
C1COCCN1C2=CC(=O)C=C(O2)Cl
InChI
InChI=1S/C9H10ClNO3/c10-8-5-7(12)6-9(14-8)11-1-3-13-4-2-11/h5-6H,1-4H2
InChIKey
QGZKNCBYDQXMQU-UHFFFAOYSA-N
Compound name
2-chloro-6-morpholin-4-ylpyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

215.03493 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 142.0
[M+Na]+ 238.02415 150.7
[M-H]- 214.02765 148.5
[M+NH4]+ 233.06875 157.3
[M+K]+ 253.99809 149.6
[M+H-H2O]+ 198.03219 135.2
[M+HCOO]- 260.03313 156.7
[M+CH3COO]- 274.04878 182.3
[M+Na-2H]- 236.00960 149.3
[M]+ 215.03438 143.2
[M]- 215.03548 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe