CID 11832131

1219002-13-7

Structural Information

Molecular Formula
C13H25NO4
SMILES
CC1(N([C@@H](CO1)CCCO)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H25NO4/c1-12(2,3)18-11(16)14-10(7-6-8-15)9-17-13(14,4)5/h10,15H,6-9H2,1-5H3/t10-/m1/s1
InChIKey
JEPJZGUFARGBJH-SNVBAGLBSA-N
Compound name
tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

259.17834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.185616 160.8
[M+Na]+ 282.167558 167.2
[M-H]- 258.171064 162.2
[M+NH4]+ 277.212163 178.8
[M+K]+ 298.141498 167.6
[M+H-H2O]+ 242.175600 156.6
[M+HCOO]- 304.176541 176.7
[M+CH3COO]- 318.192191 192.6
[M+Na-2H]- 280.153006 163.4
[M]+ 259.17779142 164.2
[M]- 259.17888858 164.2
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

patents stripe