CID 16767984

1-(2-fluoro-4,5-dimethoxyphenyl)ethan-1-amine

Structural Information

Molecular Formula
C10H14FNO2
SMILES
CC(C1=CC(=C(C=C1F)OC)OC)N
InChI
InChI=1S/C10H14FNO2/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-6H,12H2,1-3H3
InChIKey
XXTAHPCJRMPZFE-UHFFFAOYSA-N
Compound name
1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.10086 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10814 141.5
[M+Na]+ 222.09008 150.2
[M-H]- 198.09358 144.1
[M+NH4]+ 217.13468 161.0
[M+K]+ 238.06402 148.8
[M+H-H2O]+ 182.09812 134.8
[M+HCOO]- 244.09906 164.5
[M+CH3COO]- 258.11471 189.6
[M+Na-2H]- 220.07553 144.4
[M]+ 199.10031 142.3
[M]- 199.10141 142.3
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.