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

47
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 127.8
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.