CID 91461

Lupinine

Structural Information

Molecular Formula
C10H19NO
SMILES
C1CCN2CCC[C@H]([C@H]2C1)CO
InChI
InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1
InChIKey
HDVAWXXJVMJBAR-VHSXEESVSA-N
Compound name
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

52
References

385
Patents

169.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.153946 139.4
[M+Na]+ 192.135888 143.1
[M-H]- 168.139394 139.5
[M+NH4]+ 187.180493 158.5
[M+K]+ 208.109828 140.7
[M+H-H2O]+ 152.143930 132.8
[M+HCOO]- 214.144871 153.6
[M+CH3COO]- 228.160521 176.7
[M+Na-2H]- 190.121336 144.0
[M]+ 169.14612142 131.6
[M]- 169.14721858 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe