CID 2138

Amido phenyl pyruvic acid

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1=CC(=CC=C1CC(=O)C(=O)O)C(=N)N
InChI
InChI=1S/C10H10N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4H,5H2,(H3,11,12)(H,14,15)
InChIKey
ZXBYWYQEQQBMBT-UHFFFAOYSA-N
Compound name
3-(4-carbamimidoylphenyl)-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

173
Patents

206.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 143.9
[M+Na]+ 229.05836 149.5
[M-H]- 205.06186 145.8
[M+NH4]+ 224.10296 160.7
[M+K]+ 245.03230 147.4
[M+H-H2O]+ 189.06640 137.5
[M+HCOO]- 251.06734 166.2
[M+CH3COO]- 265.08299 188.7
[M+Na-2H]- 227.04381 146.0
[M]+ 206.06859 140.3
[M]- 206.06969 140.3
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