CID 2760995

N,n-dimethyloxamic acid

Structural Information

Molecular Formula
C4H7NO3
SMILES
CN(C)C(=O)C(=O)O
InChI
InChI=1S/C4H7NO3/c1-5(2)3(6)4(7)8/h1-2H3,(H,7,8)
InChIKey
YKFGLGXRUVEMNF-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

547
Patents

117.042595 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04987 120.7
[M+Na]+ 140.03181 127.9
[M-H]- 116.03532 121.6
[M+NH4]+ 135.07642 142.9
[M+K]+ 156.00575 129.7
[M+H-H2O]+ 100.03986 116.2
[M+HCOO]- 162.04080 144.3
[M+CH3COO]- 176.05645 171.3
[M+Na-2H]- 138.01726 125.3
[M]+ 117.04205 121.2
[M]- 117.04314 121.2
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.