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]+ 292.09068 161.9
[M+Na]+ 314.07262 172.7
[M-H]- 290.07612 166.9
[M+NH4]+ 309.11722 184.2
[M+K]+ 330.04656 162.9
[M+H-H2O]+ 274.08066 163.2
[M+HCOO]- 336.08160 178.0
[M+CH3COO]- 350.09725 197.5
[M+Na-2H]- 312.05807 165.2
[M]+ 291.08285 181.7
[M]- 291.08395 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.