CID 163236241

Tert-butyl 3-(bromomethyl)-3-methoxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C10H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CBr)OC
InChI
InChI=1S/C10H18BrNO3/c1-9(2,3)15-8(13)12-6-10(5-11,7-12)14-4/h5-7H2,1-4H3
InChIKey
ISJXJLCBRWUSQK-UHFFFAOYSA-N
Compound name
tert-butyl 3-(bromomethyl)-3-methoxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.047 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.054276 148.8
[M+Na]+ 302.036218 158.0
[M-H]- 278.039724 153.7
[M+NH4]+ 297.080823 163.5
[M+K]+ 318.010158 152.1
[M+H-H2O]+ 262.044260 145.4
[M+HCOO]- 324.045201 164.8
[M+CH3COO]- 338.060851 197.3
[M+Na-2H]- 300.021666 155.2
[M]+ 279.04645142 178.0
[M]- 279.04754858 178.0
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