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 142.7
[M+Na]+ 298.00494 153.6
[M-H]- 274.00844 144.4
[M+NH4]+ 293.04954 155.3
[M+K]+ 313.97888 147.0
[M+H-H2O]+ 258.01298 134.1
[M+HCOO]- 320.01392 155.0
[M+CH3COO]- 334.02957 199.7
[M+Na-2H]- 295.99039 148.1
[M]+ 275.01517 161.9
[M]- 275.01627 161.9
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