CID 43193176

(butan-2-yl)[2-(2-fluorophenyl)ethyl]amine

Structural Information

Molecular Formula
C12H18FN
SMILES
CCC(C)NCCC1=CC=CC=C1F
InChI
InChI=1S/C12H18FN/c1-3-10(2)14-9-8-11-6-4-5-7-12(11)13/h4-7,10,14H,3,8-9H2,1-2H3
InChIKey
YJHHTABTMSFBET-UHFFFAOYSA-N
Compound name
N-[2-(2-fluorophenyl)ethyl]butan-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 144.7
[M+Na]+ 218.13155 150.7
[M-H]- 194.13505 146.7
[M+NH4]+ 213.17615 164.0
[M+K]+ 234.10549 148.0
[M+H-H2O]+ 178.13959 137.5
[M+HCOO]- 240.14053 167.2
[M+CH3COO]- 254.15618 190.0
[M+Na-2H]- 216.11700 149.0
[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.