CID 22742030

1-(4-bromobutyl)pyrrolidine hydrobromide

Structural Information

Molecular Formula
C8H16BrN
SMILES
C1CCN(C1)CCCCBr
InChI
InChI=1S/C8H16BrN/c9-5-1-2-6-10-7-3-4-8-10/h1-8H2
InChIKey
HWFQUIDUSNKZQS-UHFFFAOYSA-N
Compound name
1-(4-bromobutyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

205.04662 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05390 143.5
[M+Na]+ 228.03584 152.9
[M-H]- 204.03934 147.5
[M+NH4]+ 223.08044 166.4
[M+K]+ 244.00978 142.8
[M+H-H2O]+ 188.04388 143.1
[M+HCOO]- 250.04482 162.6
[M+CH3COO]- 264.06047 182.6
[M+Na-2H]- 226.02129 148.7
[M]+ 205.04607 160.0
[M]- 205.04717 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe