CID 177228

2h-quinolizine, octahydro-1-[[(trimethylstannyl)thio]methyl]-, (1r,9ar)-

Structural Information

Molecular Formula
C10H19NS
SMILES
C1CCN2CCC[C@H]([C@H]2C1)CS
InChI
InChI=1S/C10H19NS/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1
InChIKey
IDJFQEVIICXDDP-VHSXEESVSA-N
Compound name
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

185.12383 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.13111 140.1
[M+Na]+ 208.11305 144.6
[M-H]- 184.11655 141.7
[M+NH4]+ 203.15765 160.1
[M+K]+ 224.08699 142.1
[M+H-H2O]+ 168.12109 133.8
[M+HCOO]- 230.12203 150.6
[M+CH3COO]- 244.13768 151.1
[M+Na-2H]- 206.09850 142.3
[M]+ 185.12328 135.3
[M]- 185.12438 135.3
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

patents stripe