CID 155822819

2567489-60-3

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC[C@H]1COC[C@H](N1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO5/c1-5-8-6-17-7-9(10(14)15)13(8)11(16)18-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1
InChIKey
NHMPQAKKUFCSJL-IUCAKERBSA-N
Compound name
(3S,5S)-5-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.14197 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 159.0
[M+Na]+ 282.13119 166.6
[M+NH4]+ 277.17579 163.3
[M+K]+ 298.10513 165.2
[M-H]- 258.13469 157.6
[M+Na-2H]- 280.11664 159.0
[M]+ 259.14142 159.2
[M]- 259.14252 159.2
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.