CID 155973538

Tert-butyl 3-(bromomethyl)-3-methoxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H20BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CBr)OC
InChI
InChI=1S/C11H20BrNO3/c1-10(2,3)16-9(14)13-6-5-11(7-12,8-13)15-4/h5-8H2,1-4H3
InChIKey
ZZSJWENESOJHRL-UHFFFAOYSA-N
Compound name
tert-butyl 3-(bromomethyl)-3-methoxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06265 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06993 161.2
[M+Na]+ 316.05187 171.4
[M-H]- 292.05537 166.0
[M+NH4]+ 311.09647 183.1
[M+K]+ 332.02581 162.4
[M+H-H2O]+ 276.05991 162.3
[M+HCOO]- 338.06085 177.9
[M+CH3COO]- 352.07650 195.4
[M+Na-2H]- 314.03732 165.7
[M]+ 293.06210 181.8
[M]- 293.06320 181.8
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.