CID 205433

Cis-octahydro-2h-quinolizin-1-ol acetate (ester) hydrochloride

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(=O)O[C@H]1CCCN2[C@@H]1CCCC2
InChI
InChI=1S/C11H19NO2/c1-9(13)14-11-6-4-8-12-7-3-2-5-10(11)12/h10-11H,2-8H2,1H3/t10-,11+/m1/s1
InChIKey
SFWPKDUYUYNXQS-MNOVXSKESA-N
Compound name
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 145.4
[M+Na]+ 220.130808 149.1
[M-H]- 196.134314 146.9
[M+NH4]+ 215.175413 164.0
[M+K]+ 236.104748 147.8
[M+H-H2O]+ 180.138850 138.5
[M+HCOO]- 242.139791 160.2
[M+CH3COO]- 256.155441 183.8
[M+Na-2H]- 218.116256 148.8
[M]+ 197.14104142 139.9
[M]- 197.14213858 139.9
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.