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]+ 163.086596 132.6
[M+Na]+ 185.068538 142.4
[M-H]- 161.072044 134.5
[M+NH4]+ 180.113143 150.1
[M+K]+ 201.042478 140.5
[M+H-H2O]+ 145.076580 119.5
[M+HCOO]- 207.077521 151.5
[M+CH3COO]- 221.093171 191.6
[M+Na-2H]- 183.053986 138.6
[M]+ 162.07877142 128.9
[M]- 162.07986858 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