CID 10103319

Fluoroethylcholine (18f)

Structural Information

Molecular Formula
C7H17FNO
SMILES
C[N+](C)(C)CCOCC[18F]
InChI
InChI=1S/C7H17FNO/c1-9(2,3)5-7-10-6-4-8/h4-7H2,1-3H3/q+1/i8-1
InChIKey
XUUGOSKUEDWDAS-COJKEBBMSA-N
Compound name
2-(2-(18F)fluoroethoxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

149.13196 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.13924 129.3
[M+Na]+ 172.12118 136.2
[M-H]- 148.12468 130.0
[M+NH4]+ 167.16578 151.3
[M+K]+ 188.09512 131.5
[M+H-H2O]+ 132.12922 126.8
[M+HCOO]- 194.13016 152.6
[M+CH3COO]- 208.14581 176.3
[M+Na-2H]- 170.10663 139.2
[M]+ 149.13141 130.1
[M]- 149.13251 130.1
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