CID 80689917

3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine hydrobromide

Structural Information

Molecular Formula
C8H16BrNO
SMILES
COCCN1CCC(C1)CBr
InChI
InChI=1S/C8H16BrNO/c1-11-5-4-10-3-2-8(6-9)7-10/h8H,2-7H2,1H3
InChIKey
XWORYKBPBYHNDH-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-(2-methoxyethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04153 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04881 145.5
[M+Na]+ 244.03075 155.7
[M-H]- 220.03425 149.9
[M+NH4]+ 239.07535 168.1
[M+K]+ 260.00469 145.9
[M+H-H2O]+ 204.03879 145.2
[M+HCOO]- 266.03973 164.8
[M+CH3COO]- 280.05538 185.4
[M+Na-2H]- 242.01620 150.2
[M]+ 221.04098 163.7
[M]- 221.04208 163.7
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.