CID 59229635

Tert-butyl (4s)-4-(3-bromopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Structural Information

Molecular Formula
C13H24BrNO3
SMILES
CC1(N([C@H](CO1)CCCBr)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H24BrNO3/c1-12(2,3)18-11(16)15-10(7-6-8-14)9-17-13(15,4)5/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKey
IZGSEIGGEWDALD-JTQLQIEISA-N
Compound name
tert-butyl (4S)-4-(3-bromopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.09396 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10124 169.0
[M+Na]+ 344.08318 179.2
[M-H]- 320.08668 174.2
[M+NH4]+ 339.12778 188.9
[M+K]+ 360.05712 170.5
[M+H-H2O]+ 304.09122 170.1
[M+HCOO]- 366.09216 184.1
[M+CH3COO]- 380.10781 202.2
[M+Na-2H]- 342.06863 172.7
[M]+ 321.09341 191.1
[M]- 321.09451 191.1
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