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]+ 170.11511 135.4
[M+Na]+ 192.09705 141.7
[M-H]- 168.10055 131.7
[M+NH4]+ 187.14165 155.7
[M+K]+ 208.07099 140.8
[M+H-H2O]+ 152.10509 128.3
[M+HCOO]- 214.10603 154.2
[M+CH3COO]- 228.12168 183.9
[M+Na-2H]- 190.08250 139.7
[M]+ 169.10728 131.2
[M]- 169.10838 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.