CID 22317556

5-bromo-2-cyclopropyl-4-methylpyridine

Structural Information

Molecular Formula
C9H10BrN
SMILES
CC1=CC(=NC=C1Br)C2CC2
InChI
InChI=1S/C9H10BrN/c1-6-4-9(7-2-3-7)11-5-8(6)10/h4-5,7H,2-3H2,1H3
InChIKey
VBRYULANOSLPSP-UHFFFAOYSA-N
Compound name
5-bromo-2-cyclopropyl-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

210.99966 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 139.0
[M+Na]+ 233.98888 153.3
[M-H]- 209.99238 148.2
[M+NH4]+ 229.03348 156.2
[M+K]+ 249.96282 141.9
[M+H-H2O]+ 193.99692 138.2
[M+HCOO]- 255.99786 160.6
[M+CH3COO]- 270.01351 188.3
[M+Na-2H]- 231.97433 147.1
[M]+ 210.99911 159.0
[M]- 211.00021 159.0
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