CID 119031413

5-methyl-7-oxo-1,2,3,7-tetrahydroindolizine-8-carbonitrile

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=CC(=O)C(=C2N1CCC2)C#N
InChI
InChI=1S/C10H10N2O/c1-7-5-10(13)8(6-11)9-3-2-4-12(7)9/h5H,2-4H2,1H3
InChIKey
LYTMXBMSTRPHAF-UHFFFAOYSA-N
Compound name
5-methyl-7-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 137.7
[M+Na]+ 197.06854 150.0
[M+NH4]+ 192.11314 143.0
[M+K]+ 213.04248 142.0
[M-H]- 173.07204 132.0
[M+Na-2H]- 195.05399 140.4
[M]+ 174.07877 136.9
[M]- 174.07987 136.9
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

No patent data available for this compound.