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

32
Patents

160.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 131.9
[M+Na]+ 183.05288 148.5
[M-H]- 159.05638 138.2
[M+NH4]+ 178.09748 146.4
[M+K]+ 199.02682 140.9
[M+H-H2O]+ 143.06092 121.5
[M+HCOO]- 205.06186 152.8
[M+CH3COO]- 219.07751 190.4
[M+Na-2H]- 181.03833 139.6
[M]+ 160.06311 129.6
[M]- 160.06421 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