CID 61142024

1218724-49-2

Structural Information

Molecular Formula
C12H15F3N2
SMILES
C1[C@H]([C@@H](CN1CC2=CC=CC=C2)N)C(F)(F)F
InChI
InChI=1S/C12H15F3N2/c13-12(14,15)10-7-17(8-11(10)16)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,16H2/t10-,11-/m1/s1
InChIKey
WMMPTAKSLQNVBD-GHMZBOCLSA-N
Compound name
(3S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.11873 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12601 152.3
[M+Na]+ 267.10795 159.3
[M-H]- 243.11145 153.0
[M+NH4]+ 262.15255 169.6
[M+K]+ 283.08189 155.0
[M+H-H2O]+ 227.11599 142.6
[M+HCOO]- 289.11693 169.5
[M+CH3COO]- 303.13258 193.6
[M+Na-2H]- 265.09340 153.8
[M]+ 244.11818 144.2
[M]- 244.11928 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

No patent data available for this compound.