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]+ 198.073636 131.2
[M+Na]+ 220.055578 138.9
[M-H]- 196.059084 130.6
[M+NH4]+ 215.100183 144.6
[M+K]+ 236.029518 136.0
[M+H-H2O]+ 180.063620 123.3
[M+HCOO]- 242.064561 148.8
[M+CH3COO]- 256.080211 186.6
[M+Na-2H]- 218.041026 135.2
[M]+ 197.06581142 128.4
[M]- 197.06690858 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.