CID 15401443

28911-34-4

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1COCCN1C(=O)C(=O)O
InChI
InChI=1S/C6H9NO4/c8-5(6(9)10)7-1-3-11-4-2-7/h1-4H2,(H,9,10)
InChIKey
PNEYYXXAPCEGCL-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

159.05316 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 131.0
[M+Na]+ 182.04238 136.3
[M-H]- 158.04588 132.0
[M+NH4]+ 177.08698 148.0
[M+K]+ 198.01632 137.5
[M+H-H2O]+ 142.05042 124.9
[M+HCOO]- 204.05136 147.8
[M+CH3COO]- 218.06701 170.3
[M+Na-2H]- 180.02783 135.9
[M]+ 159.05261 127.7
[M]- 159.05371 127.8
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