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]+ 175.086596 136.1
[M+Na]+ 197.068538 148.6
[M-H]- 173.072044 139.1
[M+NH4]+ 192.113143 156.2
[M+K]+ 213.042478 143.6
[M+H-H2O]+ 157.076580 123.6
[M+HCOO]- 219.077521 155.1
[M+CH3COO]- 233.093171 192.8
[M+Na-2H]- 195.053986 140.9
[M]+ 174.07877142 131.6
[M]- 174.07986858 131.6
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

No patent data available for this compound.