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

32
Patents

155.09218 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.09946 130.5
[M+Na]+ 178.08140 137.9
[M-H]- 154.08490 126.7
[M+NH4]+ 173.12600 151.2
[M+K]+ 194.05534 136.9
[M+H-H2O]+ 138.08944 124.2
[M+HCOO]- 200.09038 148.4
[M+CH3COO]- 214.10603 179.7
[M+Na-2H]- 176.06685 136.2
[M]+ 155.09163 125.0
[M]- 155.09273 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