CID 4716668

[(4-fluorophenyl)methyl](pentyl)amine

Structural Information

Molecular Formula
C12H18FN
SMILES
CCCCCNCC1=CC=C(C=C1)F
InChI
InChI=1S/C12H18FN/c1-2-3-4-9-14-10-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3
InChIKey
XVCVNVRAIYQXBP-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.14233 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.149606 144.0
[M+Na]+ 218.131548 150.2
[M-H]- 194.135054 145.8
[M+NH4]+ 213.176153 163.4
[M+K]+ 234.105488 147.1
[M+H-H2O]+ 178.139590 136.7
[M+HCOO]- 240.140531 167.5
[M+CH3COO]- 254.156181 189.1
[M+Na-2H]- 216.116996 149.6
[M]+ 195.14178142 143.5
[M]- 195.14287858 143.5
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.