CID 76973063

En300-1589849

Structural Information

Molecular Formula
C11H21NO6
SMILES
CC(C)(C)OC(=O)N[C@@H](COCCOC)C(=O)O
InChI
InChI=1S/C11H21NO6/c1-11(2,3)18-10(15)12-8(9(13)14)7-17-6-5-16-4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey
GAOVGRFFFWBOCR-QMMMGPOBSA-N
Compound name
(2S)-3-(2-methoxyethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1369 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14418 160.1
[M+Na]+ 286.12612 164.1
[M-H]- 262.12962 158.5
[M+NH4]+ 281.17072 175.7
[M+K]+ 302.10006 165.5
[M+H-H2O]+ 246.13416 154.5
[M+HCOO]- 308.13510 179.1
[M+CH3COO]- 322.15075 195.9
[M+Na-2H]- 284.11157 161.8
[M]+ 263.13635 165.2
[M]- 263.13745 165.2
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.