CID 71568799

4f-mhpg f-18

Structural Information

Molecular Formula
C9H12FN3O
SMILES
C1=CC(=C(C=C1CCN=C(N)N)O)[18F]
InChI
InChI=1S/C9H12FN3O/c10-7-2-1-6(5-8(7)14)3-4-13-9(11)12/h1-2,5,14H,3-4H2,(H4,11,12,13)/i10-1
InChIKey
DBVYMDMGVRXUPK-LMANFOLPSA-N
Compound name
2-[2-(4-(18F)fluoranyl-3-hydroxyphenyl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

196.09897 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10625 141.0
[M+Na]+ 219.08819 147.8
[M-H]- 195.09169 142.7
[M+NH4]+ 214.13279 159.1
[M+K]+ 235.06213 145.1
[M+H-H2O]+ 179.09623 133.5
[M+HCOO]- 241.09717 165.7
[M+CH3COO]- 255.11282 191.4
[M+Na-2H]- 217.07364 144.6
[M]+ 196.09842 136.2
[M]- 196.09952 136.2
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