CID 79307361

1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine

Structural Information

Molecular Formula
C10H18F3N
SMILES
CCC(C1CCC(CC1)C(F)(F)F)N
InChI
InChI=1S/C10H18F3N/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKey
GXCDSCRIBSMFOT-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.13913 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14641 151.4
[M+Na]+ 232.12835 157.3
[M+NH4]+ 227.17295 157.2
[M+K]+ 248.10229 152.6
[M-H]- 208.13185 148.7
[M+Na-2H]- 230.11380 153.0
[M]+ 209.13858 151.0
[M]- 209.13968 151.0
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

No patent data available for this compound.