CID 10464594

2-[hydroxy(pyridin-3-yl)methyl]prop-2-enenitrile

Structural Information

Molecular Formula
C9H8N2O
SMILES
C=C(C#N)C(C1=CN=CC=C1)O
InChI
InChI=1S/C9H8N2O/c1-7(5-10)9(12)8-3-2-4-11-6-8/h2-4,6,9,12H,1H2
InChIKey
JOTLMTYVEFIXPL-UHFFFAOYSA-N
Compound name
2-[hydroxy(pyridin-3-yl)methyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

160.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 135.9
[M+Na]+ 183.052878 144.5
[M-H]- 159.056384 136.3
[M+NH4]+ 178.097483 152.3
[M+K]+ 199.026818 141.5
[M+H-H2O]+ 143.060920 122.9
[M+HCOO]- 205.061861 152.7
[M+CH3COO]- 219.077511 188.2
[M+Na-2H]- 181.038326 140.6
[M]+ 160.06311142 128.8
[M]- 160.06420858 128.8
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

No patent data available for this compound.