CID 3056838

1-allyl-1,2,5,6-tetrahydropyridine hydrobromide

Structural Information

Molecular Formula
C8H13N
SMILES
C=CCN1CCC=CC1
InChI
InChI=1S/C8H13N/c1-2-6-9-7-4-3-5-8-9/h2-4H,1,5-8H2
InChIKey
ODYVZNSBHFPSPA-UHFFFAOYSA-N
Compound name
1-prop-2-enyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

123.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 126.1
[M+Na]+ 146.094018 132.1
[M-H]- 122.097524 127.6
[M+NH4]+ 141.138623 146.9
[M+K]+ 162.067958 130.4
[M+H-H2O]+ 106.102060 119.9
[M+HCOO]- 168.103001 147.0
[M+CH3COO]- 182.118651 170.9
[M+Na-2H]- 144.079466 133.0
[M]+ 123.10425142 122.6
[M]- 123.10534858 122.6
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