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

144
Patents

141.07654 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08382 126.4
[M+Na]+ 164.06576 133.4
[M-H]- 140.06926 122.6
[M+NH4]+ 159.11036 147.5
[M+K]+ 180.03970 133.1
[M+H-H2O]+ 124.07380 119.8
[M+HCOO]- 186.07474 144.2
[M+CH3COO]- 200.09039 177.9
[M+Na-2H]- 162.05121 129.5
[M]+ 141.07599 119.8
[M]- 141.07709 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