CID 57466929

18f-choline

Structural Information

Molecular Formula
C6H15FNO
SMILES
C[N+](C)(C)CCOCF
InChI
InChI=1S/C6H15FNO/c1-8(2,3)4-5-9-6-7/h4-6H2,1-3H3/q+1
InChIKey
TYUACEBEGBGGMO-UHFFFAOYSA-N
Compound name
2-(fluoromethoxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

217
References

53
Patents

136.11377 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.12105 124.7
[M+Na]+ 159.10299 132.0
[M-H]- 135.10649 125.6
[M+NH4]+ 154.14759 147.2
[M+K]+ 175.07693 127.6
[M+H-H2O]+ 119.11103 122.4
[M+HCOO]- 181.11197 148.3
[M+CH3COO]- 195.12762 173.3
[M+Na-2H]- 157.08844 135.1
[M]+ 136.11322 125.1
[M]- 136.11432 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe