CID 418353

Nsc100180

Structural Information

Molecular Formula
C10H18NO
SMILES
C[N+]12CCCCC1CC(=O)CC2
InChI
InChI=1S/C10H18NO/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h9H,2-8H2,1H3/q+1
InChIKey
KTVGIGCCRRKRJG-UHFFFAOYSA-N
Compound name
5-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-5-ium-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.13884 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.14612 136.5
[M+Na]+ 191.12806 141.7
[M-H]- 167.13156 138.8
[M+NH4]+ 186.17266 158.4
[M+K]+ 207.10200 134.3
[M+H-H2O]+ 151.13610 133.2
[M+HCOO]- 213.13704 152.0
[M+CH3COO]- 227.15269 171.4
[M+Na-2H]- 189.11351 144.8
[M]+ 168.13829 128.5
[M]- 168.13939 128.5
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.