CID 155904466

2306245-63-4

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H](COC1)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8-4-7(9(13)14)5-16-6-8/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
InChIKey
ZUXNWTSXNXSGIT-SFYZADRCSA-N
Compound name
(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12633 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 154.9
[M+Na]+ 268.11555 161.3
[M+NH4]+ 263.16015 159.7
[M+K]+ 284.08949 160.0
[M-H]- 244.11905 154.5
[M+Na-2H]- 266.10100 155.5
[M]+ 245.12578 155.1
[M]- 245.12688 155.1
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.