CID 53484565

Tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)OCCBr
InChI
InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-6-8(7-12)14-5-4-11/h8H,4-7H2,1-3H3
InChIKey
DXZWLAJPGMNMBR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.047 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05428 149.9
[M+Na]+ 302.03622 158.3
[M-H]- 278.03972 154.3
[M+NH4]+ 297.08082 162.7
[M+K]+ 318.01016 152.2
[M+H-H2O]+ 262.04426 144.9
[M+HCOO]- 324.04520 165.8
[M+CH3COO]- 338.06085 197.7
[M+Na-2H]- 300.02167 155.0
[M]+ 279.04645 178.5
[M]- 279.04755 178.5
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