CID 11182632

54906-44-4

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC(=O)C2=CC=CN2C1
InChI
InChI=1S/C8H9NO/c10-8-4-2-6-9-5-1-3-7(8)9/h1,3,5H,2,4,6H2
InChIKey
JHDCRSBRRZPACW-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-indolizin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

135.06842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 125.2
[M+Na]+ 158.057638 133.6
[M-H]- 134.061144 128.3
[M+NH4]+ 153.102243 148.6
[M+K]+ 174.031578 131.6
[M+H-H2O]+ 118.065680 119.4
[M+HCOO]- 180.066621 147.0
[M+CH3COO]- 194.082271 171.3
[M+Na-2H]- 156.043086 131.9
[M]+ 135.06787142 123.0
[M]- 135.06896858 123.0
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