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

35
Patents

210.99966 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 139.0
[M+Na]+ 233.988878 153.3
[M-H]- 209.992384 148.2
[M+NH4]+ 229.033483 156.2
[M+K]+ 249.962818 141.9
[M+H-H2O]+ 193.996920 138.2
[M+HCOO]- 255.997861 160.6
[M+CH3COO]- 270.013511 188.3
[M+Na-2H]- 231.974326 147.1
[M]+ 210.99911142 159.0
[M]- 211.00020858 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