CID 72219281

2-bromo-5-cyclopropoxypyridine

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1CC1OC2=CN=C(C=C2)Br
InChI
InChI=1S/C8H8BrNO/c9-8-4-3-7(5-10-8)11-6-1-2-6/h3-6H,1-2H2
InChIKey
NKSZSMNCNRIAMP-UHFFFAOYSA-N
Compound name
2-bromo-5-cyclopropyloxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

212.97893 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 138.7
[M+Na]+ 235.968148 152.5
[M-H]- 211.971654 147.7
[M+NH4]+ 231.012753 155.4
[M+K]+ 251.942088 141.7
[M+H-H2O]+ 195.976190 137.8
[M+HCOO]- 257.977131 160.8
[M+CH3COO]- 271.992781 186.4
[M+Na-2H]- 233.953596 147.8
[M]+ 212.97838142 159.2
[M]- 212.97947858 159.2
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