CID 64030330

1-(3-amino-1,2,3,4-tetrahydroquinolin-1-yl)-2,2,2-trifluoroethan-1-one hydrochloride

Structural Information

Molecular Formula
C11H11F3N2O
SMILES
C1C(CN(C2=CC=CC=C21)C(=O)C(F)(F)F)N
InChI
InChI=1S/C11H11F3N2O/c12-11(13,14)10(17)16-6-8(15)5-7-3-1-2-4-9(7)16/h1-4,8H,5-6,15H2
InChIKey
GKMDYWDXNPTOEE-UHFFFAOYSA-N
Compound name
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08235 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08963 152.2
[M+Na]+ 267.07157 160.1
[M+NH4]+ 262.11617 157.6
[M+K]+ 283.04551 155.6
[M-H]- 243.07507 149.2
[M+Na-2H]- 265.05702 154.8
[M]+ 244.08180 152.0
[M]- 244.08290 152.0
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.