CID 14677000

847144-72-3

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1CC1C2=CC=C(C(=O)N2)C#N
InChI
InChI=1S/C9H8N2O/c10-5-7-3-4-8(6-1-2-6)11-9(7)12/h3-4,6H,1-2H2,(H,11,12)
InChIKey
BQYXOZOSMCJKKJ-UHFFFAOYSA-N
Compound name
6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

160.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 131.9
[M+Na]+ 183.052878 148.5
[M-H]- 159.056384 138.2
[M+NH4]+ 178.097483 146.4
[M+K]+ 199.026818 140.9
[M+H-H2O]+ 143.060920 121.5
[M+HCOO]- 205.061861 152.8
[M+CH3COO]- 219.077511 190.4
[M+Na-2H]- 181.038326 139.6
[M]+ 160.06311142 129.6
[M]- 160.06420858 129.6
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