CID 40427079

Dl-2-amino-3-methyl-1,1,1-trifluorobutane

Structural Information

Molecular Formula
C5H10F3N
SMILES
CC(C)[C@@H](C(F)(F)F)N
InChI
InChI=1S/C5H10F3N/c1-3(2)4(9)5(6,7)8/h3-4H,9H2,1-2H3/t4-/m0/s1
InChIKey
YGGUXSPKQBCCRM-BYPYZUCNSA-N
Compound name
(2S)-1,1,1-trifluoro-3-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

141.07654 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.083816 126.4
[M+Na]+ 164.065758 133.4
[M-H]- 140.069264 122.6
[M+NH4]+ 159.110363 147.5
[M+K]+ 180.039698 133.1
[M+H-H2O]+ 124.073800 119.8
[M+HCOO]- 186.074741 144.2
[M+CH3COO]- 200.090391 177.9
[M+Na-2H]- 162.051206 129.5
[M]+ 141.07599142 119.8
[M]- 141.07708858 119.8
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

patents stripe