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
2
Annotation Hits

0
References

95
Patents

149.13196 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.139236 129.3
[M+Na]+ 172.121178 136.2
[M-H]- 148.124684 130.0
[M+NH4]+ 167.165783 151.3
[M+K]+ 188.095118 131.5
[M+H-H2O]+ 132.129220 126.8
[M+HCOO]- 194.130161 152.6
[M+CH3COO]- 208.145811 176.3
[M+Na-2H]- 170.106626 139.2
[M]+ 149.13141142 130.1
[M]- 149.13250858 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