CID 83818781

3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
C1CC1NC(CC(=O)O)C(F)(F)F
InChI
InChI=1S/C7H10F3NO2/c8-7(9,10)5(3-6(12)13)11-4-1-2-4/h4-5,11H,1-3H2,(H,12,13)
InChIKey
ZIZKJDUNKXWJOM-UHFFFAOYSA-N
Compound name
3-(cyclopropylamino)-4,4,4-trifluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 131.2
[M+Na]+ 220.05558 138.9
[M-H]- 196.05908 130.6
[M+NH4]+ 215.10018 144.6
[M+K]+ 236.02952 136.0
[M+H-H2O]+ 180.06362 123.3
[M+HCOO]- 242.06456 148.8
[M+CH3COO]- 256.08021 186.6
[M+Na-2H]- 218.04103 135.2
[M]+ 197.06581 128.4
[M]- 197.06691 128.4
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.