CID 43315019

1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

Structural Information

Molecular Formula
C11H13F3N2
SMILES
C1CN(CC1N)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-6-5-8(15)7-16/h1-4,8H,5-7,15H2
InChIKey
DPMBAWPRMCHMCH-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.10309 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.110366 147.6
[M+Na]+ 253.092308 155.1
[M-H]- 229.095814 148.6
[M+NH4]+ 248.136913 165.6
[M+K]+ 269.066248 151.1
[M+H-H2O]+ 213.100350 138.1
[M+HCOO]- 275.101291 165.2
[M+CH3COO]- 289.116941 190.6
[M+Na-2H]- 251.077756 149.7
[M]+ 230.10254142 139.2
[M]- 230.10363858 139.2
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