CID 3074195

155272-59-6

Structural Information

Molecular Formula
C18H22NO4
SMILES
C1C[N+]2(CCC1C(C2)O)CCOC3=CC4=C(C=C3)C=CC(=O)O4
InChI
InChI=1S/C18H22NO4/c20-16-12-19(7-5-13(16)6-8-19)9-10-22-15-3-1-14-2-4-18(21)23-17(14)11-15/h1-4,11,13,16,20H,5-10,12H2/q+1
InChIKey
FUNALYLKAWLZST-UHFFFAOYSA-N
Compound name
7-[2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.15488 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16216 165.8
[M+Na]+ 339.14410 170.0
[M-H]- 315.14760 164.6
[M+NH4]+ 334.18870 183.5
[M+K]+ 355.11804 161.5
[M+H-H2O]+ 299.15214 159.1
[M+HCOO]- 361.15308 172.3
[M+CH3COO]- 375.16873 173.8
[M+Na-2H]- 337.12955 179.6
[M]+ 316.15433 167.6
[M]- 316.15543 167.6
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.