CID 56828356

[1-(4-fluorophenyl)-3-methylbutan-2-yl](methyl)amine

Structural Information

Molecular Formula
C12H18FN
SMILES
CC(C)C(CC1=CC=C(C=C1)F)NC
InChI
InChI=1S/C12H18FN/c1-9(2)12(14-3)8-10-4-6-11(13)7-5-10/h4-7,9,12,14H,8H2,1-3H3
InChIKey
DEWJBBAPGXIXNI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-N,3-dimethylbutan-2-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 145.1
[M+Na]+ 218.13155 150.9
[M-H]- 194.13505 147.2
[M+NH4]+ 213.17615 164.4
[M+K]+ 234.10549 148.7
[M+H-H2O]+ 178.13959 138.1
[M+HCOO]- 240.14053 166.6
[M+CH3COO]- 254.15618 190.8
[M+Na-2H]- 216.11700 148.2
[M]+ 195.14178 143.3
[M]- 195.14288 143.3
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.