CID 71317907

N-(perfluoro-1-oxobutyl)aspartic acid 1-ethyl ester

Structural Information

Molecular Formula
C10H10F7NO5
SMILES
CCOC(=O)C(CC(=O)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H10F7NO5/c1-2-23-6(21)4(3-5(19)20)18-7(22)8(11,12)9(13,14)10(15,16)17/h4H,2-3H2,1H3,(H,18,22)(H,19,20)
InChIKey
GAHLLWWTAWUXEK-UHFFFAOYSA-N
Compound name
4-ethoxy-3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

357.0447 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.05198 164.8
[M+Na]+ 380.03392 170.5
[M-H]- 356.03742 154.7
[M+NH4]+ 375.07852 168.2
[M+K]+ 396.00786 169.8
[M+H-H2O]+ 340.04196 154.7
[M+HCOO]- 402.04290 169.8
[M+CH3COO]- 416.05855 211.0
[M+Na-2H]- 378.01937 164.5
[M]+ 357.04415 156.2
[M]- 357.04525 156.2
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.