CID 70700830

3-(6-bromopyridin-3-yl)propan-1-ol

Structural Information

Molecular Formula
C8H10BrNO
SMILES
C1=CC(=NC=C1CCCO)Br
InChI
InChI=1S/C8H10BrNO/c9-8-4-3-7(6-10-8)2-1-5-11/h3-4,6,11H,1-2,5H2
InChIKey
MXQCAFIUXXQSSI-UHFFFAOYSA-N
Compound name
3-(6-bromopyridin-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

214.99458 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 136.9
[M+Na]+ 237.98380 148.4
[M-H]- 213.98730 140.7
[M+NH4]+ 233.02840 157.5
[M+K]+ 253.95774 137.1
[M+H-H2O]+ 197.99184 136.9
[M+HCOO]- 259.99278 156.9
[M+CH3COO]- 274.00843 182.0
[M+Na-2H]- 235.96925 145.5
[M]+ 214.99403 155.5
[M]- 214.99513 155.5
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