CID 50990566

2-(3-oxomorpholin-4-yl)acetic acid

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1COCC(=O)N1CC(=O)O
InChI
InChI=1S/C6H9NO4/c8-5-4-11-2-1-7(5)3-6(9)10/h1-4H2,(H,9,10)
InChIKey
SZUPCAZDKKJKEX-UHFFFAOYSA-N
Compound name
2-(3-oxomorpholin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

159.05316 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 130.0
[M+Na]+ 182.04238 136.3
[M-H]- 158.04588 131.2
[M+NH4]+ 177.08698 147.2
[M+K]+ 198.01632 137.0
[M+H-H2O]+ 142.05042 124.0
[M+HCOO]- 204.05136 147.8
[M+CH3COO]- 218.06701 171.9
[M+Na-2H]- 180.02783 135.5
[M]+ 159.05261 127.9
[M]- 159.05371 127.9
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