CID 62394492

1,1,1-trifluoro-4,4-dimethylpentan-3-amine

Structural Information

Molecular Formula
C7H14F3N
SMILES
CC(C)(C)C(CC(F)(F)F)N
InChI
InChI=1S/C7H14F3N/c1-6(2,3)5(11)4-7(8,9)10/h5H,4,11H2,1-3H3
InChIKey
RFKMORYSKRWMRW-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4,4-dimethylpentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.10783 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.115106 135.1
[M+Na]+ 192.097048 142.0
[M-H]- 168.100554 131.2
[M+NH4]+ 187.141653 155.3
[M+K]+ 208.070988 141.1
[M+H-H2O]+ 152.105090 128.7
[M+HCOO]- 214.106031 151.7
[M+CH3COO]- 228.121681 182.9
[M+Na-2H]- 190.082496 139.1
[M]+ 169.10728142 129.2
[M]- 169.10837858 129.2
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

No patent data available for this compound.