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 147.9
[M+Na]+ 286.04132 156.6
[M-H]- 262.04482 152.5
[M+NH4]+ 281.08592 161.5
[M+K]+ 302.01526 150.0
[M+H-H2O]+ 246.04936 143.2
[M+HCOO]- 308.05030 163.7
[M+CH3COO]- 322.06595 195.9
[M+Na-2H]- 284.02677 153.0
[M]+ 263.05155 175.3
[M]- 263.05265 175.3
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