CID 10944693

Tert-butyl (4r,5r)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

Structural Information

Molecular Formula
C12H23NO4
SMILES
C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H23NO4/c1-8-9(7-14)13(12(5,6)16-8)10(15)17-11(2,3)4/h8-9,14H,7H2,1-6H3/t8-,9-/m1/s1
InChIKey
JVGUACRTSCOTQB-RKDXNWHRSA-N
Compound name
tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

245.1627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 154.9
[M+Na]+ 268.151918 162.7
[M-H]- 244.155424 156.8
[M+NH4]+ 263.196523 173.8
[M+K]+ 284.125858 163.3
[M+H-H2O]+ 228.159960 151.3
[M+HCOO]- 290.160901 171.2
[M+CH3COO]- 304.176551 190.9
[M+Na-2H]- 266.137366 157.5
[M]+ 245.16215142 158.3
[M]- 245.16324858 158.3
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