CID 89813773

4,4,4-trifluoro-3,3-dimethylbutan-1-amine

Structural Information

Molecular Formula
C6H12F3N
SMILES
CC(C)(CCN)C(F)(F)F
InChI
InChI=1S/C6H12F3N/c1-5(2,3-4-10)6(7,8)9/h3-4,10H2,1-2H3
InChIKey
SSRSFLXNEFVWSJ-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3,3-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

155.09218 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.099456 130.5
[M+Na]+ 178.081398 137.9
[M-H]- 154.084904 126.7
[M+NH4]+ 173.126003 151.2
[M+K]+ 194.055338 136.9
[M+H-H2O]+ 138.089440 124.2
[M+HCOO]- 200.090381 148.4
[M+CH3COO]- 214.106031 179.7
[M+Na-2H]- 176.066846 136.2
[M]+ 155.09163142 125.0
[M]- 155.09272858 125.0
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