CID 62936927

1340172-35-1

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC(C)OC1=CC(=NC=C1)C#N
InChI
InChI=1S/C9H10N2O/c1-7(2)12-9-3-4-11-8(5-9)6-10/h3-5,7H,1-2H3
InChIKey
YMLVUGBHFSRHHA-UHFFFAOYSA-N
Compound name
4-propan-2-yloxypyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

162.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 132.6
[M+Na]+ 185.06854 142.4
[M-H]- 161.07204 134.5
[M+NH4]+ 180.11314 150.1
[M+K]+ 201.04248 140.5
[M+H-H2O]+ 145.07658 119.5
[M+HCOO]- 207.07752 151.5
[M+CH3COO]- 221.09317 191.6
[M+Na-2H]- 183.05399 138.6
[M]+ 162.07877 128.9
[M]- 162.07987 128.9
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