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]+ 247.105266 151.1
[M+Na]+ 269.087208 158.9
[M-H]- 245.090714 151.1
[M+NH4]+ 264.131813 167.9
[M+K]+ 285.061148 154.6
[M+H-H2O]+ 229.095250 142.0
[M+HCOO]- 291.096191 167.4
[M+CH3COO]- 305.111841 191.3
[M+Na-2H]- 267.072656 152.1
[M]+ 246.09744142 142.6
[M]- 246.09853858 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.