CID 145874585

Tert-butyl 3-(bromomethyl)-2,2-dimethylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H22BrNO2
SMILES
CC1(C(CCN1C(=O)OC(C)(C)C)CBr)C
InChI
InChI=1S/C12H22BrNO2/c1-11(2,3)16-10(15)14-7-6-9(8-13)12(14,4)5/h9H,6-8H2,1-5H3
InChIKey
XOJBRJVTCCMRBA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(bromomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.090676 161.9
[M+Na]+ 314.072618 172.7
[M-H]- 290.076124 166.9
[M+NH4]+ 309.117223 184.2
[M+K]+ 330.046558 162.9
[M+H-H2O]+ 274.080660 163.2
[M+HCOO]- 336.081601 178.0
[M+CH3COO]- 350.097251 197.5
[M+Na-2H]- 312.058066 165.2
[M]+ 291.08285142 181.7
[M]- 291.08394858 181.7
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.