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]+ 280.11798 161.2
[M+Na]+ 302.09992 167.0
[M-H]- 278.10342 165.1
[M+NH4]+ 297.14452 176.9
[M+K]+ 318.07386 167.7
[M+H-H2O]+ 262.10796 154.7
[M+HCOO]- 324.10890 182.0
[M+CH3COO]- 338.12455 204.1
[M+Na-2H]- 300.08537 159.9
[M]+ 279.11015 164.8
[M]- 279.11125 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.