CID 485419

Benzenemethanamine, n-pentyl-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C13H18F3N
SMILES
CCCCCNCC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C13H18F3N/c1-2-3-4-8-17-10-11-6-5-7-12(9-11)13(14,15)16/h5-7,9,17H,2-4,8,10H2,1H3
InChIKey
NBCWWPAZNKQXBT-UHFFFAOYSA-N
Compound name
N-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

245.13913 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14641 154.8
[M+Na]+ 268.12835 161.3
[M-H]- 244.13185 154.0
[M+NH4]+ 263.17295 172.2
[M+K]+ 284.10229 157.4
[M+H-H2O]+ 228.13639 145.9
[M+HCOO]- 290.13733 174.3
[M+CH3COO]- 304.15298 197.4
[M+Na-2H]- 266.11380 159.2
[M]+ 245.13858 151.7
[M]- 245.13968 151.7
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.