CID 11240524

Hexahydroindolizin-7(1h)-one

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2CC(=O)CCN2C1
InChI
InChI=1S/C8H13NO/c10-8-3-5-9-4-1-2-7(9)6-8/h7H,1-6H2
InChIKey
CQTKSBAHMPWPQD-UHFFFAOYSA-N
Compound name
2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

139.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.1
[M+Na]+ 162.08894 140.3
[M+NH4]+ 157.13354 139.6
[M+K]+ 178.06288 135.8
[M-H]- 138.09244 131.5
[M+Na-2H]- 160.07439 133.8
[M]+ 139.09917 131.7
[M]- 139.10027 131.7
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