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]+ 245.089626 150.8
[M+Na]+ 267.071568 158.6
[M-H]- 243.075074 149.4
[M+NH4]+ 262.116173 167.5
[M+K]+ 283.045508 154.7
[M+H-H2O]+ 227.079610 141.7
[M+HCOO]- 289.080551 165.4
[M+CH3COO]- 303.096201 193.9
[M+Na-2H]- 265.057016 154.9
[M]+ 244.08180142 142.9
[M]- 244.08289858 142.9
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.