CID 3080614

N-oxalylglycine

Structural Information

Molecular Formula
C4H5NO5
SMILES
C(C(=O)O)NC(=O)C(=O)O
InChI
InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
InChIKey
BIMZLRFONYSTPT-UHFFFAOYSA-N
Compound name
2-(carboxymethylamino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

325
References

686
Patents

147.01677 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.02405 125.8
[M+Na]+ 170.00599 132.2
[M-H]- 146.00949 123.7
[M+NH4]+ 165.05059 145.0
[M+K]+ 185.97993 132.6
[M+H-H2O]+ 130.01403 121.1
[M+HCOO]- 192.01497 147.0
[M+CH3COO]- 206.03062 169.7
[M+Na-2H]- 167.99144 129.3
[M]+ 147.01622 124.6
[M]- 147.01732 124.6
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