CID 66570537

3-cyclohexyl-1,1,1-trifluoropropan-2-amine hydrochloride

Structural Information

Molecular Formula
C9H16F3N
SMILES
C1CCC(CC1)CC(C(F)(F)F)N
InChI
InChI=1S/C9H16F3N/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h7-8H,1-6,13H2
InChIKey
FHGMVQOFCLGBTA-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1,1,1-trifluoropropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12349 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13077 142.5
[M+Na]+ 218.11271 146.3
[M-H]- 194.11621 140.5
[M+NH4]+ 213.15731 160.9
[M+K]+ 234.08665 144.3
[M+H-H2O]+ 178.12075 134.4
[M+HCOO]- 240.12169 157.3
[M+CH3COO]- 254.13734 185.4
[M+Na-2H]- 216.09816 144.4
[M]+ 195.12294 131.4
[M]- 195.12404 131.4
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.