CID 90357297

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

Structural Information

Molecular Formula
C10H16BrNO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)CBr
InChI
InChI=1S/C10H16BrNO3/c1-10(2,3)15-9(14)12-5-7(6-12)8(13)4-11/h7H,4-6H2,1-3H3
InChIKey
UZVUBCSVTGJSBL-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

277.03137 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.03865 149.6
[M+Na]+ 300.02059 157.9
[M-H]- 276.02409 154.1
[M+NH4]+ 295.06519 162.2
[M+K]+ 315.99453 151.8
[M+H-H2O]+ 260.02863 144.6
[M+HCOO]- 322.02957 164.7
[M+CH3COO]- 336.04522 197.7
[M+Na-2H]- 298.00604 153.5
[M]+ 277.03082 177.0
[M]- 277.03192 177.0
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