CID 45072123

1256944-96-3

Structural Information

Molecular Formula
C9H12FNO
SMILES
C[C@H](C1=CC(=C(C=C1)F)OC)N
InChI
InChI=1S/C9H12FNO/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-6H,11H2,1-2H3/t6-/m1/s1
InChIKey
ZYUQFKDHMDFLHO-ZCFIWIBFSA-N
Compound name
(1R)-1-(4-fluoro-3-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

169.09029 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 134.1
[M+Na]+ 192.07951 142.3
[M-H]- 168.08301 136.5
[M+NH4]+ 187.12411 154.5
[M+K]+ 208.05345 140.6
[M+H-H2O]+ 152.08755 127.6
[M+HCOO]- 214.08849 157.3
[M+CH3COO]- 228.10414 183.3
[M+Na-2H]- 190.06496 138.3
[M]+ 169.08974 132.7
[M]- 169.09084 132.7
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