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]+ 259.141646 156.9
[M+Na]+ 281.123588 162.3
[M-H]- 257.127094 157.2
[M+NH4]+ 276.168193 173.3
[M+K]+ 297.097528 158.3
[M+H-H2O]+ 241.131630 146.9
[M+HCOO]- 303.132571 172.8
[M+CH3COO]- 317.148221 196.3
[M+Na-2H]- 279.109036 157.4
[M]+ 258.13382142 148.2
[M]- 258.13491858 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.