CID 50998625

2055390-15-1

Structural Information

Molecular Formula
C6H12F3N
SMILES
CC(C)C[C@H](C(F)(F)F)N
InChI
InChI=1S/C6H12F3N/c1-4(2)3-5(10)6(7,8)9/h4-5H,3,10H2,1-2H3/t5-/m1/s1
InChIKey
GAIOQBNXIHMNHE-RXMQYKEDSA-N
Compound name
(2R)-1,1,1-trifluoro-4-methylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

155.09218 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.099456 131.2
[M+Na]+ 178.081398 137.7
[M-H]- 154.084904 127.2
[M+NH4]+ 173.126003 151.7
[M+K]+ 194.055338 137.2
[M+H-H2O]+ 138.089440 124.4
[M+HCOO]- 200.090381 148.6
[M+CH3COO]- 214.106031 181.0
[M+Na-2H]- 176.066846 133.7
[M]+ 155.09163142 124.9
[M]- 155.09272858 124.9
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