CID 53408258

1220019-17-9

Structural Information

Molecular Formula
C11H13F3N2O
SMILES
C1CN(CC1O)C2=C(C=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C11H13F3N2O/c12-11(13,14)9-5-7(15)1-2-10(9)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6,15H2
InChIKey
DWGVBUOKDUXKOM-UHFFFAOYSA-N
Compound name
1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.09799 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10527 151.1
[M+Na]+ 269.08721 158.9
[M-H]- 245.09071 151.1
[M+NH4]+ 264.13181 167.9
[M+K]+ 285.06115 154.6
[M+H-H2O]+ 229.09525 142.0
[M+HCOO]- 291.09619 167.4
[M+CH3COO]- 305.11184 191.3
[M+Na-2H]- 267.07266 152.1
[M]+ 246.09744 142.6
[M]- 246.09854 142.6
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

No patent data available for this compound.