CID 132327903

2-(1-amino-2,2,2-trifluoroethyl)pentanedioic acid hydrochloride

Structural Information

Molecular Formula
C7H10F3NO4
SMILES
C(CC(=O)O)C(C(C(F)(F)F)N)C(=O)O
InChI
InChI=1S/C7H10F3NO4/c8-7(9,10)5(11)3(6(14)15)1-2-4(12)13/h3,5H,1-2,11H2,(H,12,13)(H,14,15)
InChIKey
VNWSNZODGKUSFD-UHFFFAOYSA-N
Compound name
2-(1-amino-2,2,2-trifluoroethyl)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0562 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06348 144.3
[M+Na]+ 252.04542 149.5
[M-H]- 228.04892 137.3
[M+NH4]+ 247.09002 159.8
[M+K]+ 268.01936 148.8
[M+H-H2O]+ 212.05346 137.2
[M+HCOO]- 274.05440 157.8
[M+CH3COO]- 288.07005 187.2
[M+Na-2H]- 250.03087 143.2
[M]+ 229.05565 137.7
[M]- 229.05675 137.7
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.