CID 83685688

2230799-43-4

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

COC1=C(C=C(C=C1)F)CC2(CC2)N

InChI

InChI=1S/C11H14FNO/c1-14-10-3-2-9(12)6-8(10)7-11(13)4-5-11/h2-3,6H,4-5,7,13H2,1H3

InChIKey

KVALXPLHBFDZSZ-UHFFFAOYSA-N

Compound name

1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.10594 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.11322	137.5
[M+Na]+	218.09516	147.7
[M-H]-	194.09866	144.0
[M+NH4]+	213.13976	153.9
[M+K]+	234.06910	144.9
[M+H-H2O]+	178.10320	131.1
[M+HCOO]-	240.10414	161.2
[M+CH3COO]-	254.11979	189.6
[M+Na-2H]-	216.08061	143.8
[M]+	195.10539	139.2
[M]-	195.10649	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe