CID 53256624

2839139-69-2

Structural Information

Molecular Formula
C9H12FNO
SMILES
CNCC1=C(C=CC(=C1)F)OC
InChI
InChI=1S/C9H12FNO/c1-11-6-7-5-8(10)3-4-9(7)12-2/h3-5,11H,6H2,1-2H3
InChIKey
OVZWLWZMLHOFFU-UHFFFAOYSA-N
Compound name
1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

169.09029 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 133.0
[M+Na]+ 192.07951 141.5
[M-H]- 168.08301 135.8
[M+NH4]+ 187.12411 153.8
[M+K]+ 208.05345 139.6
[M+H-H2O]+ 152.08755 126.4
[M+HCOO]- 214.08849 157.8
[M+CH3COO]- 228.10414 183.1
[M+Na-2H]- 190.06496 139.6
[M]+ 169.08974 133.3
[M]- 169.09084 133.3
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

patents stripe