CID 62954172

1275898-51-5

Structural Information

Molecular Formula
C12H21NO6
SMILES
CC(C)(C)OC(=O)CN(CC(=O)OC)CC(=O)OC
InChI
InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)8-13(6-9(14)17-4)7-10(15)18-5/h6-8H2,1-5H3
InChIKey
QPFFIZIYWKGGJS-UHFFFAOYSA-N
Compound name
methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

275.1369 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14418 161.5
[M+Na]+ 298.12612 166.3
[M-H]- 274.12962 162.9
[M+NH4]+ 293.17072 178.1
[M+K]+ 314.10006 169.1
[M+H-H2O]+ 258.13416 155.8
[M+HCOO]- 320.13510 182.6
[M+CH3COO]- 334.15075 203.2
[M+Na-2H]- 296.11157 162.9
[M]+ 275.13635 169.6
[M]- 275.13745 169.6
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