CID 138395061

Dtxsid00897154

Structural Information

Molecular Formula
C11H12F7NO5
SMILES
CCOC(=O)[C@@H](CCC(=O)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H12F7NO5/c1-2-24-7(22)5(3-4-6(20)21)19-8(23)9(12,13)10(14,15)11(16,17)18/h5H,2-4H2,1H3,(H,19,23)(H,20,21)/t5-/m1/s1
InChIKey
FYWCNWDCUWMVFO-RXMQYKEDSA-N
Compound name
(4R)-5-ethoxy-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

371.06036 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.06764 169.5
[M+Na]+ 394.04958 174.8
[M-H]- 370.05308 170.3
[M+NH4]+ 389.09418 172.0
[M+K]+ 410.02352 173.9
[M+H-H2O]+ 354.05762 159.2
[M+HCOO]- 416.05856 173.3
[M+CH3COO]- 430.07421 213.9
[M+Na-2H]- 392.03503 168.7
[M]+ 371.05981 161.3
[M]- 371.06091 161.3
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

No patent data available for this compound.