CID 495827

Nsc669722

Structural Information

Molecular Formula
C9H17NO3
SMILES
C1CCN2CC(C(C(C2C1)O)O)O
InChI
InChI=1S/C9H17NO3/c11-7-5-10-4-2-1-3-6(10)8(12)9(7)13/h6-9,11-13H,1-5H2
InChIKey
MBSUOCBPGKTHFN-UHFFFAOYSA-N
Compound name
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 141.8
[M+Na]+ 210.11007 146.9
[M-H]- 186.11357 140.1
[M+NH4]+ 205.15467 159.3
[M+K]+ 226.08401 144.1
[M+H-H2O]+ 170.11811 136.3
[M+HCOO]- 232.11905 153.6
[M+CH3COO]- 246.13470 175.5
[M+Na-2H]- 208.09552 144.7
[M]+ 187.12030 133.8
[M]- 187.12140 133.8
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.