CID 67558381

(s)-2-(tert-butoxycarbonyl)isoxazolidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H15NO5
SMILES
CC(C)(C)OC(=O)N1[C@@H](CCO1)C(=O)O
InChI
InChI=1S/C9H15NO5/c1-9(2,3)15-8(13)10-6(7(11)12)4-5-14-10/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKey
FQNQHKBAZFREIU-LURJTMIESA-N
Compound name
(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

217.09502 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10230 146.3
[M+Na]+ 240.08424 152.5
[M-H]- 216.08774 147.8
[M+NH4]+ 235.12884 163.3
[M+K]+ 256.05818 154.0
[M+H-H2O]+ 200.09228 141.3
[M+HCOO]- 262.09322 163.0
[M+CH3COO]- 276.10887 182.0
[M+Na-2H]- 238.06969 149.0
[M]+ 217.09447 147.6
[M]- 217.09557 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe