CID 11275096

3-hydroxy-3-(pyridin-3-yl)propanenitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC(=CN=C1)C(CC#N)O
InChI
InChI=1S/C8H8N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3H2
InChIKey
IQSUQNWWGUZNBY-UHFFFAOYSA-N
Compound name
3-hydroxy-3-pyridin-3-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

148.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 130.6
[M+Na]+ 171.05288 139.6
[M-H]- 147.05638 131.1
[M+NH4]+ 166.09748 147.6
[M+K]+ 187.02682 137.0
[M+H-H2O]+ 131.06092 117.7
[M+HCOO]- 193.06186 148.5
[M+CH3COO]- 207.07751 185.5
[M+Na-2H]- 169.03833 137.2
[M]+ 148.06311 124.5
[M]- 148.06421 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe