CID 43315507

1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine

Structural Information

Molecular Formula
C11H13F3N2O
SMILES
C1CN(CC1N)C2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C11H13F3N2O/c12-11(13,14)17-10-3-1-2-9(6-10)16-5-4-8(15)7-16/h1-3,6,8H,4-5,7,15H2
InChIKey
QNJREWJCDASCTQ-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

246.09799 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.105266 150.7
[M+Na]+ 269.087208 158.0
[M-H]- 245.090714 151.6
[M+NH4]+ 264.131813 167.9
[M+K]+ 285.061148 154.5
[M+H-H2O]+ 229.095250 141.0
[M+HCOO]- 291.096191 168.5
[M+CH3COO]- 305.111841 192.6
[M+Na-2H]- 267.072656 152.8
[M]+ 246.09744142 143.6
[M]- 246.09853858 143.6
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