CID 45787928

2-bromo-6-isopropylpyridine

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC(C)C1=NC(=CC=C1)Br
InChI
InChI=1S/C8H10BrN/c1-6(2)7-4-3-5-8(9)10-7/h3-6H,1-2H3
InChIKey
GNBUFPXDJYBELS-UHFFFAOYSA-N
Compound name
2-bromo-6-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

198.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 133.4
[M+Na]+ 221.98888 145.2
[M-H]- 197.99238 138.7
[M+NH4]+ 217.03348 155.3
[M+K]+ 237.96282 134.9
[M+H-H2O]+ 181.99692 133.6
[M+HCOO]- 243.99786 153.7
[M+CH3COO]- 258.01351 183.5
[M+Na-2H]- 219.97433 141.5
[M]+ 198.99911 152.0
[M]- 199.00021 152.0
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