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

11
Patents

246.09799 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10527 150.7
[M+Na]+ 269.08721 158.0
[M-H]- 245.09071 151.6
[M+NH4]+ 264.13181 167.9
[M+K]+ 285.06115 154.5
[M+H-H2O]+ 229.09525 141.0
[M+HCOO]- 291.09619 168.5
[M+CH3COO]- 305.11184 192.6
[M+Na-2H]- 267.07266 152.8
[M]+ 246.09744 143.6
[M]- 246.09854 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