CID 3072417

142469-77-0

Structural Information

Molecular Formula
C12H15F3N2
SMILES
C1CC(N(C1)C2=CC=CC(=C2)C(F)(F)F)CN
InChI
InChI=1S/C12H15F3N2/c13-12(14,15)9-3-1-4-10(7-9)17-6-2-5-11(17)8-16/h1,3-4,7,11H,2,5-6,8,16H2
InChIKey
SXXLHIGUZCRTAP-UHFFFAOYSA-N
Compound name
[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.11873 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12601 157.1
[M+Na]+ 267.10795 164.7
[M+NH4]+ 262.15255 162.8
[M+K]+ 283.08189 160.8
[M-H]- 243.11145 155.6
[M+Na-2H]- 265.09340 160.9
[M]+ 244.11818 157.3
[M]- 244.11928 157.3
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.