CID 64769311

1-(2-{[ethyl(methyl)amino]methyl}-4-fluorophenyl)methanamine

Structural Information

Molecular Formula
C11H17FN2
SMILES
CCN(C)CC1=C(C=CC(=C1)F)CN
InChI
InChI=1S/C11H17FN2/c1-3-14(2)8-10-6-11(12)5-4-9(10)7-13/h4-6H,3,7-8,13H2,1-2H3
InChIKey
UYAMHERXRGLYHD-UHFFFAOYSA-N
Compound name
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.13757 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.144846 144.1
[M+Na]+ 219.126788 151.1
[M-H]- 195.130294 147.5
[M+NH4]+ 214.171393 163.8
[M+K]+ 235.100728 149.2
[M+H-H2O]+ 179.134830 136.7
[M+HCOO]- 241.135771 168.9
[M+CH3COO]- 255.151421 194.9
[M+Na-2H]- 217.112236 147.9
[M]+ 196.13702142 143.1
[M]- 196.13811858 143.1
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.