CID 22391966

2-(5-bromopyridin-3-yl)propan-2-ol

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CC(C)(C1=CC(=CN=C1)Br)O
InChI
InChI=1S/C8H10BrNO/c1-8(2,11)6-3-7(9)5-10-4-6/h3-5,11H,1-2H3
InChIKey
BTIWBTYSCGIKRO-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-3-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

214.99458 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 138.6
[M+Na]+ 237.98380 142.0
[M+NH4]+ 233.02840 143.2
[M+K]+ 253.95774 142.6
[M-H]- 213.98730 138.1
[M+Na-2H]- 235.96925 142.4
[M]+ 214.99403 137.8
[M]- 214.99513 137.8
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