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]+ 140.10700 129.3
[M+Na]+ 162.08894 135.6
[M-H]- 138.09244 131.6
[M+NH4]+ 157.13354 152.3
[M+K]+ 178.06288 134.0
[M+H-H2O]+ 122.09698 123.4
[M+HCOO]- 184.09792 148.2
[M+CH3COO]- 198.11357 172.1
[M+Na-2H]- 160.07439 133.9
[M]+ 139.09917 124.2
[M]- 139.10027 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.