CID 24824703

Cardiopet

Structural Information

Molecular Formula
C18H33FO2
SMILES
CCCCCCCCC(CCCC[C@@H]1C[C@H]1CC(=O)O)[18F]
InChI
InChI=1S/C18H33FO2/c1-2-3-4-5-6-7-11-17(19)12-9-8-10-15-13-16(15)14-18(20)21/h15-17H,2-14H2,1H3,(H,20,21)/t15-,16+,17?/m1/s1/i19-1
InChIKey
DDTRZLZETKPBPQ-YWWFHXEUSA-N
Compound name
2-[(1S,2R)-2-(5-(18F)fluoranyltridecyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

299.249 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.25628 172.8
[M+Na]+ 322.23822 177.4
[M-H]- 298.24172 173.1
[M+NH4]+ 317.28282 182.9
[M+K]+ 338.21216 172.5
[M+H-H2O]+ 282.24626 164.9
[M+HCOO]- 344.24720 189.5
[M+CH3COO]- 358.26285 209.5
[M+Na-2H]- 320.22367 170.6
[M]+ 299.24845 178.0
[M]- 299.24955 178.0
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