CID 25324510

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

Structural Information

Molecular Formula
C12H22BrNO3
SMILES
C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)CBr
InChI
InChI=1S/C12H22BrNO3/c1-8-9(7-13)14(12(5,6)16-8)10(15)17-11(2,3)4/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKey
VEULXYRJGBJWFF-RKDXNWHRSA-N
Compound name
tert-butyl (4S,5R)-4-(bromomethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0783 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08558 162.9
[M+Na]+ 330.06752 174.4
[M-H]- 306.07102 168.7
[M+NH4]+ 325.11212 183.6
[M+K]+ 346.04146 165.9
[M+H-H2O]+ 290.07556 164.5
[M+HCOO]- 352.07650 178.3
[M+CH3COO]- 366.09215 200.6
[M+Na-2H]- 328.05297 166.7
[M]+ 307.07775 185.0
[M]- 307.07885 185.0
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.