CID 52805

(alpha-methyl-m-trifluoromethylphenethylamino)trimethylammonium iodide

Structural Information

Molecular Formula
C13H20F3N2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)N[N+](C)(C)C
InChI
InChI=1S/C13H20F3N2/c1-10(17-18(2,3)4)8-11-6-5-7-12(9-11)13(14,15)16/h5-7,9-10,17H,8H2,1-4H3/q+1
InChIKey
VCQAAUHWCQZLOF-UHFFFAOYSA-N
Compound name
trimethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.15787 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16515 154.3
[M+Na]+ 284.14709 160.4
[M-H]- 260.15059 155.5
[M+NH4]+ 279.19169 171.4
[M+K]+ 300.12103 152.7
[M+H-H2O]+ 244.15513 148.5
[M+HCOO]- 306.15607 173.3
[M+CH3COO]- 320.17172 199.4
[M+Na-2H]- 282.13254 161.9
[M]+ 261.15732 149.4
[M]- 261.15842 149.4
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.