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
3
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]+ 280.11798 162.3
[M+Na]+ 302.09992 170.7
[M+NH4]+ 297.14452 166.8
[M+K]+ 318.07386 168.9
[M-H]- 278.10342 161.4
[M+Na-2H]- 300.08537 164.6
[M]+ 279.11015 162.7
[M]- 279.11125 162.7
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.