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]+ 176.00694 129.8
[M+Na]+ 197.98888 140.2
[M-H]- 173.99238 133.3
[M+NH4]+ 193.03348 151.7
[M+K]+ 213.96282 129.4
[M+H-H2O]+ 157.99692 130.3
[M+HCOO]- 219.99786 147.4
[M+CH3COO]- 234.01351 175.2
[M+Na-2H]- 195.97433 137.5
[M]+ 174.99911 143.7
[M]- 175.00021 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.