CID 3059298

76302-54-0

Structural Information

Molecular Formula
C21H30NO3
SMILES
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+]4(C3)CCCC4)O
InChI
InChI=1S/C21H30NO3/c23-20(25-19-12-15-22(16-19)13-6-7-14-22)21(24,18-10-4-5-11-18)17-8-2-1-3-9-17/h1-3,8-9,18-19,24H,4-7,10-16H2/q+1
InChIKey
KQEVSKHQZDNJSY-UHFFFAOYSA-N
Compound name
5-azoniaspiro[4.4]nonan-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.22256 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.22984 182.3
[M+Na]+ 367.21178 190.4
[M+NH4]+ 362.25638 192.2
[M+K]+ 383.18572 189.4
[M-H]- 343.21528 187.3
[M+Na-2H]- 365.19723 189.0
[M]+ 344.22201 185.0
[M]- 344.22311 185.0
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