CID 28710564

N-(2-ethyl-6-methylphenyl)-oxalamic acid

Structural Information

Molecular Formula
C11H13NO3
SMILES
CCC1=CC=CC(=C1NC(=O)C(=O)O)C
InChI
InChI=1S/C11H13NO3/c1-3-8-6-4-5-7(2)9(8)12-10(13)11(14)15/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
SAWXESXDACFEPC-UHFFFAOYSA-N
Compound name
2-(2-ethyl-6-methylanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

3
Patents

207.08954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.7
[M+Na]+ 230.078758 151.9
[M-H]- 206.082264 147.5
[M+NH4]+ 225.123363 163.0
[M+K]+ 246.052698 150.0
[M+H-H2O]+ 190.086800 138.9
[M+HCOO]- 252.087741 167.2
[M+CH3COO]- 266.103391 186.8
[M+Na-2H]- 228.064206 147.8
[M]+ 207.08899142 145.0
[M]- 207.09008858 145.0
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