CID 130131989

4-bromo-1,2,3,6-tetrahydropyridine hydrochloride

Structural Information

Molecular Formula
C5H8BrN
SMILES
C1CNCC=C1Br
InChI
InChI=1S/C5H8BrN/c6-5-1-3-7-4-2-5/h1,7H,2-4H2
InChIKey
PMRHGZZEGDVXNY-UHFFFAOYSA-N
Compound name
4-bromo-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

160.98401 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.99129 125.6
[M+Na]+ 183.97323 135.6
[M-H]- 159.97673 128.9
[M+NH4]+ 179.01783 147.8
[M+K]+ 199.94717 125.1
[M+H-H2O]+ 143.98127 126.2
[M+HCOO]- 205.98221 143.6
[M+CH3COO]- 219.99786 171.4
[M+Na-2H]- 181.95868 134.5
[M]+ 160.98346 138.8
[M]- 160.98456 138.8
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

patents stripe