CID 10197739

4,4,4-trifluoro-2-methylbutan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H10F3N
SMILES
CC(CC(F)(F)F)CN
InChI
InChI=1S/C5H10F3N/c1-4(3-9)2-5(6,7)8/h4H,2-3,9H2,1H3
InChIKey
PIOIYGGPVZPPRE-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-2-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

141.07654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.083816 126.4
[M+Na]+ 164.065758 133.6
[M-H]- 140.069264 122.5
[M+NH4]+ 159.110363 147.5
[M+K]+ 180.039698 132.8
[M+H-H2O]+ 124.073800 119.7
[M+HCOO]- 186.074741 145.2
[M+CH3COO]- 200.090391 177.1
[M+Na-2H]- 162.051206 130.7
[M]+ 141.07599142 120.4
[M]- 141.07708858 120.4
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

patents stripe