CID 126651505

Tert-butyl 3-(2-bromoethynyl)-3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C10H14BrNO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#CBr)O
InChI
InChI=1S/C10H14BrNO3/c1-9(2,3)15-8(13)12-6-10(14,7-12)4-5-11/h14H,6-7H2,1-3H3
InChIKey
KYURFSATNRMAAI-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromoethynyl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

275.01572 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02300 153.1
[M+Na]+ 298.00494 150.8
[M+NH4]+ 293.04954 151.2
[M+K]+ 313.97888 150.1
[M-H]- 274.00844 142.0
[M+Na-2H]- 295.99039 150.1
[M]+ 275.01517 147.0
[M]- 275.01627 147.0
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

patents stripe