CID 86767468

1803581-46-5

Structural Information

Molecular Formula
C5H8BrN
SMILES
C1CNCC(=C1)Br
InChI
InChI=1S/C5H8BrN/c6-5-2-1-3-7-4-5/h2,7H,1,3-4H2
InChIKey
JPADVFNGNAIZMA-UHFFFAOYSA-N
Compound name
5-bromo-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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

literature stripe

Patent stripe

patents stripe