CID 43370478

1-(4-fluorophenyl)-4,4-dimethylpentan-3-amine

Structural Information

Molecular Formula
C13H20FN
SMILES
CC(C)(C)C(CCC1=CC=C(C=C1)F)N
InChI
InChI=1S/C13H20FN/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8,12H,6,9,15H2,1-3H3
InChIKey
JFHCPEUKOLRUHW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4,4-dimethylpentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.15797 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.16525 149.7
[M+Na]+ 232.14719 155.9
[M-H]- 208.15069 151.4
[M+NH4]+ 227.19179 168.5
[M+K]+ 248.12113 153.1
[M+H-H2O]+ 192.15523 143.1
[M+HCOO]- 254.15617 169.8
[M+CH3COO]- 268.17182 192.0
[M+Na-2H]- 230.13264 153.1
[M]+ 209.15742 147.4
[M]- 209.15852 147.4
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.