CID 13818693

(8as)-octahydroindolizin-1-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CCN2CCC(=O)[C@@H]2C1
InChI
InChI=1S/C8H13NO/c10-8-4-6-9-5-2-1-3-7(8)9/h7H,1-6H2/t7-/m0/s1
InChIKey
GSQLNIVPNDDIHU-ZETCQYMHSA-N
Compound name
(8aS)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.