CID 485418

90390-09-3

Structural Information

Molecular Formula
C12H16F3N
SMILES
CCCCNCC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C12H16F3N/c1-2-3-7-16-9-10-5-4-6-11(8-10)12(13,14)15/h4-6,8,16H,2-3,7,9H2,1H3
InChIKey
SKEIYOLMTMGTEK-UHFFFAOYSA-N
Compound name
N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

231.12349 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13077 150.1
[M+Na]+ 254.11271 157.0
[M-H]- 230.11621 149.5
[M+NH4]+ 249.15731 168.1
[M+K]+ 270.08665 153.4
[M+H-H2O]+ 214.12075 141.5
[M+HCOO]- 276.12169 169.9
[M+CH3COO]- 290.13734 194.4
[M+Na-2H]- 252.09816 155.1
[M]+ 231.12294 146.6
[M]- 231.12404 146.6
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.