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]+ 197.14485 144.1
[M+Na]+ 219.12679 151.1
[M-H]- 195.13029 147.5
[M+NH4]+ 214.17139 163.8
[M+K]+ 235.10073 149.2
[M+H-H2O]+ 179.13483 136.7
[M+HCOO]- 241.13577 168.9
[M+CH3COO]- 255.15142 194.9
[M+Na-2H]- 217.11224 147.9
[M]+ 196.13702 143.1
[M]- 196.13812 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.