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]+ 195.198146 147.4
[M+Na]+ 217.180088 151.3
[M-H]- 193.183594 149.8
[M+NH4]+ 212.224693 170.8
[M+K]+ 233.154028 142.4
[M+H-H2O]+ 177.188130 143.3
[M+HCOO]- 239.189071 160.5
[M+CH3COO]- 253.204721 177.6
[M+Na-2H]- 215.165536 152.8
[M]+ 194.19032142 137.5
[M]- 194.19141858 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.