CID 71629211

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

Structural Information

Molecular Formula
C10H18BrNO2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCBr
InChI
InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h8H,4-7H2,1-3H3
InChIKey
IMCAWEYWTGJUEH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromoethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

263.0521 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05938 153.8
[M+Na]+ 286.04132 150.7
[M+NH4]+ 281.08592 153.7
[M+K]+ 302.01526 153.7
[M-H]- 262.04482 149.5
[M+Na-2H]- 284.02677 151.9
[M]+ 263.05155 149.8
[M]- 263.05265 149.8
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