CID 165789481

En300-1893963

Structural Information

Molecular Formula
C12H22BrNO2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(C)(C)CBr
InChI
InChI=1S/C12H22BrNO2/c1-11(2,3)16-10(15)14-6-9(7-14)12(4,5)8-13/h9H,6-8H2,1-5H3
InChIKey
YKIOMMQGNIBCCW-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-bromo-2-methylpropan-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09068 158.0
[M+Na]+ 314.07262 166.3
[M-H]- 290.07612 162.5
[M+NH4]+ 309.11722 170.6
[M+K]+ 330.04656 159.6
[M+H-H2O]+ 274.08066 153.5
[M+HCOO]- 336.08160 171.6
[M+CH3COO]- 350.09725 201.8
[M+Na-2H]- 312.05807 162.7
[M]+ 291.08285 185.5
[M]- 291.08395 185.5
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

No patent data available for this compound.