CID 4466908

2-(pyrrolidin-1-yl)-2-(4-(trifluoromethyl)phenyl)ethan-1-amine

Structural Information

Molecular Formula
C13H17F3N2
SMILES
C1CCN(C1)C(CN)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C13H17F3N2/c14-13(15,16)11-5-3-10(4-6-11)12(9-17)18-7-1-2-8-18/h3-6,12H,1-2,7-9,17H2
InChIKey
FNLFYBHUAIQAHA-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13437 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14165 156.9
[M+Na]+ 281.12359 162.3
[M-H]- 257.12709 157.2
[M+NH4]+ 276.16819 173.3
[M+K]+ 297.09753 158.3
[M+H-H2O]+ 241.13163 146.9
[M+HCOO]- 303.13257 172.8
[M+CH3COO]- 317.14822 196.3
[M+Na-2H]- 279.10904 157.4
[M]+ 258.13382 148.2
[M]- 258.13492 148.2
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.