CID 139596642

Dtxsid901028686

Structural Information

Molecular Formula
C14H17NO5
SMILES
CC1=C(C(=CC=C1)C)N([C@H](C)C(=O)OC)C(=O)C(=O)O
InChI
InChI=1S/C14H17NO5/c1-8-6-5-7-9(2)11(8)15(12(16)13(17)18)10(3)14(19)20-4/h5-7,10H,1-4H3,(H,17,18)/t10-/m1/s1
InChIKey
PPCSLWSQUIVCNN-SNVBAGLBSA-N
Compound name
2-(N-[(2R)-1-methoxy-1-oxopropan-2-yl]-2,6-dimethylanilino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 161.2
[M+Na]+ 302.099918 167.0
[M-H]- 278.103424 165.1
[M+NH4]+ 297.144523 176.9
[M+K]+ 318.073858 167.7
[M+H-H2O]+ 262.107960 154.7
[M+HCOO]- 324.108901 182.0
[M+CH3COO]- 338.124551 204.1
[M+Na-2H]- 300.085366 159.9
[M]+ 279.11015142 164.8
[M]- 279.11124858 164.8
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

No patent data available for this compound.