CID 165945963

2703779-55-7

Structural Information

Molecular Formula
C11H19NO6
SMILES
CC(C)(C)OC(=O)NCC(CC(=O)O)C(=O)OC
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-6-7(5-8(13)14)9(15)17-4/h7H,5-6H2,1-4H3,(H,12,16)(H,13,14)
InChIKey
QEPSONLKTZFXKQ-UHFFFAOYSA-N
Compound name
4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.12125 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12853 158.3
[M+Na]+ 284.11047 162.6
[M-H]- 260.11397 156.9
[M+NH4]+ 279.15507 173.9
[M+K]+ 300.08441 163.9
[M+H-H2O]+ 244.11851 153.1
[M+HCOO]- 306.11945 176.7
[M+CH3COO]- 320.13510 195.3
[M+Na-2H]- 282.09592 159.0
[M]+ 261.12070 162.0
[M]- 261.12180 162.0
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.