CID 14837701

1-(trifluoromethyl)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1CCC(CC1)(C(F)(F)F)N
InChI
InChI=1S/C7H12F3N/c8-7(9,10)6(11)4-2-1-3-5-6/h1-5,11H2
InChIKey
XIORJTOKGGMCRD-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

167.09218 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.099456 133.0
[M+Na]+ 190.081398 138.8
[M-H]- 166.084904 131.6
[M+NH4]+ 185.126003 154.6
[M+K]+ 206.055338 137.1
[M+H-H2O]+ 150.089440 126.1
[M+HCOO]- 212.090381 149.4
[M+CH3COO]- 226.106031 178.0
[M+Na-2H]- 188.066846 138.3
[M]+ 167.09163142 122.1
[M]- 167.09272858 122.1
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

patents stripe