CID 62631390

6-cyclopentyl-2-hydroxypyridine-3-carbonitrile

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1CCC(C1)C2=CC=C(C(=O)N2)C#N
InChI
InChI=1S/C11H12N2O/c12-7-9-5-6-10(13-11(9)14)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,13,14)
InChIKey
ZZKRCIJRABWAID-UHFFFAOYSA-N
Compound name
6-cyclopentyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 142.2
[M+Na]+ 211.084178 152.0
[M-H]- 187.087684 145.2
[M+NH4]+ 206.128783 159.5
[M+K]+ 227.058118 146.4
[M+H-H2O]+ 171.092220 128.7
[M+HCOO]- 233.093161 159.6
[M+CH3COO]- 247.108811 190.8
[M+Na-2H]- 209.069626 145.1
[M]+ 188.09441142 133.5
[M]- 188.09550858 133.5
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

No patent data available for this compound.