CID 6429122

Octahydroindolizin-3-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CCN2C(C1)CCC2=O
InChI
InChI=1S/C8H13NO/c10-8-5-4-7-3-1-2-6-9(7)8/h7H,1-6H2
InChIKey
IZKATSCDUREBRD-UHFFFAOYSA-N
Compound name
2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

139.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.3
[M+Na]+ 162.088938 135.6
[M-H]- 138.092444 131.6
[M+NH4]+ 157.133543 152.3
[M+K]+ 178.062878 134.0
[M+H-H2O]+ 122.096980 123.4
[M+HCOO]- 184.097921 148.2
[M+CH3COO]- 198.113571 172.1
[M+Na-2H]- 160.074386 133.9
[M]+ 139.09917142 124.2
[M]- 139.10026858 124.2
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