CID 60986714

1-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzene

Structural Information

Molecular Formula
C12H18FN
SMILES
CCC(CC)(CN)C1=CC=C(C=C1)F
InChI
InChI=1S/C12H18FN/c1-3-12(4-2,9-14)10-5-7-11(13)8-6-10/h5-8H,3-4,9,14H2,1-2H3
InChIKey
MFMDEWUKBFLACO-UHFFFAOYSA-N
Compound name
2-ethyl-2-(4-fluorophenyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.14233 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.14961 145.8
[M+Na]+ 218.13155 156.7
[M+NH4]+ 213.17615 153.8
[M+K]+ 234.10549 149.9
[M-H]- 194.13505 147.0
[M+Na-2H]- 216.11700 151.9
[M]+ 195.14178 147.6
[M]- 195.14288 147.6
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.