CID 45788668

2-bromo-5-propylpyridine

Structural Information

Molecular Formula
C8H10BrN
SMILES
CCCC1=CN=C(C=C1)Br
InChI
InChI=1S/C8H10BrN/c1-2-3-7-4-5-8(9)10-6-7/h4-6H,2-3H2,1H3
InChIKey
MHLLUSHSDFVJLE-UHFFFAOYSA-N
Compound name
2-bromo-5-propylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

198.99966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.006936 132.9
[M+Na]+ 221.988878 145.0
[M-H]- 197.992384 138.1
[M+NH4]+ 217.033483 154.9
[M+K]+ 237.962818 134.3
[M+H-H2O]+ 181.996920 133.0
[M+HCOO]- 243.997861 154.2
[M+CH3COO]- 258.013511 182.8
[M+Na-2H]- 219.974326 142.2
[M]+ 198.99911142 152.1
[M]- 199.00020858 152.1
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