CID 138040164

(2s,4s)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine

Structural Information

Molecular Formula
C11H18F3N
SMILES
C1CCC(CC1)[C@@H]2C[C@H](NC2)C(F)(F)F
InChI
InChI=1S/C11H18F3N/c12-11(13,14)10-6-9(7-15-10)8-4-2-1-3-5-8/h8-10,15H,1-7H2/t9-,10+/m1/s1
InChIKey
NIVSKRVYALPDTK-ZJUUUORDSA-N
Compound name
(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.13913 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14641 150.3
[M+Na]+ 244.12835 154.1
[M-H]- 220.13185 148.9
[M+NH4]+ 239.17295 167.9
[M+K]+ 260.10229 150.3
[M+H-H2O]+ 204.13639 141.1
[M+HCOO]- 266.13733 161.5
[M+CH3COO]- 280.15298 183.9
[M+Na-2H]- 242.11380 150.0
[M]+ 221.13858 136.9
[M]- 221.13968 136.9
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.