CID 72941454

Azoniaspironortropanol

Structural Information

Molecular Formula
C11H20NO
SMILES
C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)O
InChI
InChI=1S/C11H20NO/c13-11-7-9-3-4-10(8-11)12(9)5-1-2-6-12/h9-11,13H,1-8H2/q+1/t9-,10+,11?
InChIKey
MXMOCKPTNSGRFA-ZACCUICWSA-N
Compound name
(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

22
Patents

182.1545 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.161776 143.3
[M+Na]+ 205.143718 148.2
[M-H]- 181.147224 145.8
[M+NH4]+ 200.188323 167.9
[M+K]+ 221.117658 139.7
[M+H-H2O]+ 165.151760 140.3
[M+HCOO]- 227.152701 158.4
[M+CH3COO]- 241.168351 170.7
[M+Na-2H]- 203.129166 147.6
[M]+ 182.15395142 134.7
[M]- 182.15504858 134.7
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