CID 146678286

Dtxsid901020363

Structural Information

Molecular Formula
C11H13NO4
SMILES
CCC1=C(C(=C(C=C1)O)C)NC(=O)C(=O)O
InChI
InChI=1S/C11H13NO4/c1-3-7-4-5-8(13)6(2)9(7)12-10(14)11(15)16/h4-5,13H,3H2,1-2H3,(H,12,14)(H,15,16)
InChIKey
LOFYUGDHUHIBAM-UHFFFAOYSA-N
Compound name
2-(6-ethyl-3-hydroxy-2-methylanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 147.6
[M+Na]+ 246.073678 155.1
[M-H]- 222.077184 149.3
[M+NH4]+ 241.118283 164.7
[M+K]+ 262.047618 153.1
[M+H-H2O]+ 206.081720 142.0
[M+HCOO]- 268.082661 168.8
[M+CH3COO]- 282.098311 187.9
[M+Na-2H]- 244.059126 149.5
[M]+ 223.08391142 147.8
[M]- 223.08500858 147.8
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.