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

60
Patents

141.07654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08382 126.4
[M+Na]+ 164.06576 133.6
[M-H]- 140.06926 122.5
[M+NH4]+ 159.11036 147.5
[M+K]+ 180.03970 132.8
[M+H-H2O]+ 124.07380 119.7
[M+HCOO]- 186.07474 145.2
[M+CH3COO]- 200.09039 177.1
[M+Na-2H]- 162.05121 130.7
[M]+ 141.07599 120.4
[M]- 141.07709 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