CID 203044

4-methyldecahydro-1h-cyclopent(b)indolizinium iodide

Structural Information

Molecular Formula
C12H22N
SMILES
C[N+]12CCCCC1CC3C2CCC3
InChI
InChI=1S/C12H22N/c1-13-8-3-2-6-11(13)9-10-5-4-7-12(10)13/h10-12H,2-9H2,1H3/q+1
InChIKey
JIJJBFMATLYMMG-UHFFFAOYSA-N
Compound name
9-methyl-2,3,3a,4,4a,5,6,7,8,9a-decahydro-1H-cyclopenta[b]indolizin-9-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.17523 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.18251 144.5
[M+Na]+ 203.16445 149.9
[M-H]- 179.16795 147.6
[M+NH4]+ 198.20905 170.4
[M+K]+ 219.13839 141.3
[M+H-H2O]+ 163.17249 141.3
[M+HCOO]- 225.17343 160.2
[M+CH3COO]- 239.18908 174.7
[M+Na-2H]- 201.14990 148.9
[M]+ 180.17468 136.6
[M]- 180.17578 136.6
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.