CID 203046

5-methyldodecahydropyrido(1,2-a)indolium iodide

Structural Information

Molecular Formula
C13H24N
SMILES
C[N+]12CCCCC1CC3C2CCCC3
InChI
InChI=1S/C13H24N/c1-14-9-5-4-7-12(14)10-11-6-2-3-8-13(11)14/h11-13H,2-10H2,1H3/q+1
InChIKey
VVJRYASEOVFPBG-UHFFFAOYSA-N
Compound name
5-methyl-1,2,3,4,4a,6,7,8,9,9a,10,10a-dodecahydropyrido[1,2-a]indol-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.19087 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.19815 147.4
[M+Na]+ 217.18009 151.3
[M-H]- 193.18359 149.8
[M+NH4]+ 212.22469 170.8
[M+K]+ 233.15403 142.4
[M+H-H2O]+ 177.18813 143.3
[M+HCOO]- 239.18907 160.5
[M+CH3COO]- 253.20472 177.6
[M+Na-2H]- 215.16554 152.8
[M]+ 194.19032 137.5
[M]- 194.19142 137.5
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.