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]+ 196.14961 144.0
[M+Na]+ 218.13155 150.2
[M-H]- 194.13505 145.8
[M+NH4]+ 213.17615 163.4
[M+K]+ 234.10549 147.1
[M+H-H2O]+ 178.13959 136.7
[M+HCOO]- 240.14053 167.5
[M+CH3COO]- 254.15618 189.1
[M+Na-2H]- 216.11700 149.6
[M]+ 195.14178 143.5
[M]- 195.14288 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.