CID 91654415

1803611-57-5

Structural Information

Molecular Formula
C6H10BrN
SMILES
CC1=C(CNCC1)Br
InChI
InChI=1S/C6H10BrN/c1-5-2-3-8-4-6(5)7/h8H,2-4H2,1H3
InChIKey
ADCYOPUJDWLWBI-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.99966 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.006936 129.8
[M+Na]+ 197.988878 140.2
[M-H]- 173.992384 133.3
[M+NH4]+ 193.033483 151.7
[M+K]+ 213.962818 129.4
[M+H-H2O]+ 157.996920 130.3
[M+HCOO]- 219.997861 147.4
[M+CH3COO]- 234.013511 175.2
[M+Na-2H]- 195.974326 137.5
[M]+ 174.99911142 143.7
[M]- 175.00020858 143.7
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.