CID 165725468

Ethyl 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylate

Structural Information

Molecular Formula
C10H16F3NO2
SMILES
CCOC(=O)C1CCC(CC1)(C(F)(F)F)N
InChI
InChI=1S/C10H16F3NO2/c1-2-16-8(15)7-3-5-9(14,6-4-7)10(11,12)13/h7H,2-6,14H2,1H3
InChIKey
WVBMHHUZQRYSGJ-UHFFFAOYSA-N
Compound name
ethyl 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11331 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12059 151.0
[M+Na]+ 262.10253 156.7
[M-H]- 238.10603 149.6
[M+NH4]+ 257.14713 170.0
[M+K]+ 278.07647 155.1
[M+H-H2O]+ 222.11057 143.8
[M+HCOO]- 284.11151 166.2
[M+CH3COO]- 298.12716 191.6
[M+Na-2H]- 260.08798 153.3
[M]+ 239.11276 143.2
[M]- 239.11386 143.2
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.