CID 58721781

Tert-butyl[2-(4-fluorophenyl)ethyl]amine

Structural Information

Molecular Formula
C12H18FN
SMILES
CC(C)(C)NCCC1=CC=C(C=C1)F
InChI
InChI=1S/C12H18FN/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7,14H,8-9H2,1-3H3
InChIKey
FZABYMCFIIAFQK-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

195.14233 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.149606 144.4
[M+Na]+ 218.131548 151.3
[M-H]- 194.135054 146.7
[M+NH4]+ 213.176153 164.1
[M+K]+ 234.105488 148.6
[M+H-H2O]+ 178.139590 137.9
[M+HCOO]- 240.140531 166.4
[M+CH3COO]- 254.156181 188.8
[M+Na-2H]- 216.116996 150.7
[M]+ 195.14178142 143.4
[M]- 195.14287858 143.4
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

patents stripe