CID 117601494

1414837-14-1

Structural Information

Molecular Formula
C12H15F3N2
SMILES
C1[C@H]([C@@H](CN1CC(F)(F)F)N)C2=CC=CC=C2
InChI
InChI=1S/C12H15F3N2/c13-12(14,15)8-17-6-10(11(16)7-17)9-4-2-1-3-5-9/h1-5,10-11H,6-8,16H2/t10-,11+/m0/s1
InChIKey
MCSNMEVYCLODDS-WDEREUQCSA-N
Compound name
(3S,4R)-4-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

244.11873 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.126006 152.3
[M+Na]+ 267.107948 159.3
[M-H]- 243.111454 153.0
[M+NH4]+ 262.152553 169.6
[M+K]+ 283.081888 155.0
[M+H-H2O]+ 227.115990 142.6
[M+HCOO]- 289.116931 169.5
[M+CH3COO]- 303.132581 193.6
[M+Na-2H]- 265.093396 153.8
[M]+ 244.11818142 144.2
[M]- 244.11927858 144.2
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

patents stripe