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

19
Patents

212.97893 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 138.7
[M+Na]+ 235.96815 152.5
[M-H]- 211.97165 147.7
[M+NH4]+ 231.01275 155.4
[M+K]+ 251.94209 141.7
[M+H-H2O]+ 195.97619 137.8
[M+HCOO]- 257.97713 160.8
[M+CH3COO]- 271.99278 186.4
[M+Na-2H]- 233.95360 147.8
[M]+ 212.97838 159.2
[M]- 212.97948 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