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]+ 196.149606 144.8
[M+Na]+ 218.131548 151.6
[M-H]- 194.135054 146.5
[M+NH4]+ 213.176153 164.1
[M+K]+ 234.105488 148.5
[M+H-H2O]+ 178.139590 138.2
[M+HCOO]- 240.140531 166.1
[M+CH3COO]- 254.156181 188.8
[M+Na-2H]- 216.116996 149.9
[M]+ 195.14178142 142.8
[M]- 195.14287858 142.8
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.