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 189.2
[M+Na]+ 367.21178 189.7
[M-H]- 343.21528 197.2
[M+NH4]+ 362.25638 206.3
[M+K]+ 383.18572 180.8
[M+H-H2O]+ 327.21982 184.5
[M+HCOO]- 389.22076 202.5
[M+CH3COO]- 403.23641 196.4
[M+Na-2H]- 365.19723 187.7
[M]+ 344.22201 179.9
[M]- 344.22311 179.9
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

patents stripe