CID 24704116

(pentan-3-yl)(2,2,2-trifluoroethyl)amine hydrochloride

Structural Information

Molecular Formula
C7H14F3N
SMILES
CCC(CC)NCC(F)(F)F
InChI
InChI=1S/C7H14F3N/c1-3-6(4-2)11-5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKey
XEJNAPLYVAVCRW-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)pentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.10783 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.115106 135.4
[M+Na]+ 192.097048 141.7
[M-H]- 168.100554 131.7
[M+NH4]+ 187.141653 155.7
[M+K]+ 208.070988 140.8
[M+H-H2O]+ 152.105090 128.3
[M+HCOO]- 214.106031 154.2
[M+CH3COO]- 228.121681 183.9
[M+Na-2H]- 190.082496 139.7
[M]+ 169.10728142 131.2
[M]- 169.10837858 131.2
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.