CID 366750

Ethyl 2-((2,6-dimethylphenyl)amino)-2-oxoacetate

Structural Information

Molecular Formula
C12H15NO3
SMILES
CCOC(=O)C(=O)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C12H15NO3/c1-4-16-12(15)11(14)13-10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKey
XKILREZHHLCALS-UHFFFAOYSA-N
Compound name
ethyl 2-(2,6-dimethylanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 148.9
[M+Na]+ 244.09442 156.2
[M-H]- 220.09792 152.9
[M+NH4]+ 239.13902 167.4
[M+K]+ 260.06836 155.0
[M+H-H2O]+ 204.10246 142.7
[M+HCOO]- 266.10340 172.6
[M+CH3COO]- 280.11905 191.7
[M+Na-2H]- 242.07987 152.0
[M]+ 221.10465 151.3
[M]- 221.10575 151.3
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

patents stripe