CID 155970238

Tert-butyl 3-(2-bromo-1-hydroxyethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(CBr)O
InChI
InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(14)12-5-7(6-12)8(13)4-11/h7-8,13H,4-6H2,1-3H3
InChIKey
WCWQZBFVNAULBZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromo-1-hydroxyethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.047 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05428 153.1
[M+Na]+ 302.03622 160.6
[M-H]- 278.03972 156.2
[M+NH4]+ 297.08082 165.0
[M+K]+ 318.01016 154.1
[M+H-H2O]+ 262.04426 148.0
[M+HCOO]- 324.04520 166.5
[M+CH3COO]- 338.06085 196.2
[M+Na-2H]- 300.02167 156.2
[M]+ 279.04645 179.3
[M]- 279.04755 179.3
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.