CID 53436697

Indolizine-2-carbonitrile

Structural Information

Molecular Formula
C9H6N2
SMILES
C1=CC2=CC(=CN2C=C1)C#N
InChI
InChI=1S/C9H6N2/c10-6-8-5-9-3-1-2-4-11(9)7-8/h1-5,7H
InChIKey
LOQCUYOSKCAMJF-UHFFFAOYSA-N
Compound name
indolizine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

142.0531 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06038 129.2
[M+Na]+ 165.04232 142.1
[M-H]- 141.04582 132.1
[M+NH4]+ 160.08692 150.0
[M+K]+ 181.01626 136.9
[M+H-H2O]+ 125.05036 116.3
[M+HCOO]- 187.05130 150.6
[M+CH3COO]- 201.06695 142.7
[M+Na-2H]- 163.02777 137.3
[M]+ 142.05255 125.6
[M]- 142.05365 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe