CID 165783289

3-(3-bromopyridin-2-yl)-3-hydroxypropanenitrile

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
C1=CC(=C(N=C1)C(CC#N)O)Br
InChI
InChI=1S/C8H7BrN2O/c9-6-2-1-5-11-8(6)7(12)3-4-10/h1-2,5,7,12H,3H2
InChIKey
LLNBZUCGTHUTEV-UHFFFAOYSA-N
Compound name
3-(3-bromopyridin-2-yl)-3-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97418 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 141.2
[M+Na]+ 248.96340 144.7
[M+NH4]+ 244.00800 142.8
[M+K]+ 264.93734 142.0
[M-H]- 224.96690 134.8
[M+Na-2H]- 246.94885 142.5
[M]+ 225.97363 138.1
[M]- 225.97473 138.1
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

No patent data available for this compound.