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

57
Patents

198.99966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 132.9
[M+Na]+ 221.98888 145.0
[M-H]- 197.99238 138.1
[M+NH4]+ 217.03348 154.9
[M+K]+ 237.96282 134.3
[M+H-H2O]+ 181.99692 133.0
[M+HCOO]- 243.99786 154.2
[M+CH3COO]- 258.01351 182.8
[M+Na-2H]- 219.97433 142.2
[M]+ 198.99911 152.1
[M]- 199.00021 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