CID 24706636

1016805-97-2

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1CCC(C1)OC2=C(C=CC=N2)C#N
InChI
InChI=1S/C11H12N2O/c12-8-9-4-3-7-13-11(9)14-10-5-1-2-6-10/h3-4,7,10H,1-2,5-6H2
InChIKey
ZPMXJSCANAEKAT-UHFFFAOYSA-N
Compound name
2-cyclopentyloxypyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

188.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 140.1
[M+Na]+ 211.084178 149.3
[M-H]- 187.087684 143.9
[M+NH4]+ 206.128783 157.8
[M+K]+ 227.058118 144.9
[M+H-H2O]+ 171.092220 126.0
[M+HCOO]- 233.093161 158.7
[M+CH3COO]- 247.108811 192.9
[M+Na-2H]- 209.069626 144.3
[M]+ 188.09441142 133.4
[M]- 188.09550858 133.4
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