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]+ 231.11037 147.6
[M+Na]+ 253.09231 155.1
[M-H]- 229.09581 148.6
[M+NH4]+ 248.13691 165.6
[M+K]+ 269.06625 151.1
[M+H-H2O]+ 213.10035 138.1
[M+HCOO]- 275.10129 165.2
[M+CH3COO]- 289.11694 190.6
[M+Na-2H]- 251.07776 149.7
[M]+ 230.10254 139.2
[M]- 230.10364 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