CID 10956272

143364-85-6

Structural Information

Molecular Formula
C12H21NO5
SMILES
C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO5/c1-7-8(9(14)15)13(12(5,6)17-7)10(16)18-11(2,3)4/h7-8H,1-6H3,(H,14,15)/t7-,8+/m1/s1
InChIKey
ZOAFMGLANQGVKH-SFYZADRCSA-N
Compound name
(4S,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

259.14197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 155.3
[M+Na]+ 282.13119 163.0
[M-H]- 258.13469 157.4
[M+NH4]+ 277.17579 173.4
[M+K]+ 298.10513 164.2
[M+H-H2O]+ 242.13923 151.9
[M+HCOO]- 304.14017 171.0
[M+CH3COO]- 318.15582 193.2
[M+Na-2H]- 280.11664 157.1
[M]+ 259.14142 158.9
[M]- 259.14252 158.9
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