CID 22493880

334019-20-4

Structural Information

Molecular Formula

C₁₀H₁₄FNO₂

SMILES

COC(C1=CC(=C(C=C1)F)CN)OC

InChI

InChI=1S/C10H14FNO2/c1-13-10(14-2)7-3-4-9(11)8(5-7)6-12/h3-5,10H,6,12H2,1-2H3

InChIKey

GJYSXIZJWZVVRV-UHFFFAOYSA-N

Compound name

[5-(dimethoxymethyl)-2-fluorophenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 199.10086 Da
Monoisotopic Mass: 0.5
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]+	200.10814	142.0
[M+Na]+	222.09008	149.7
[M-H]-	198.09358	144.1
[M+NH4]+	217.13468	161.1
[M+K]+	238.06402	148.2
[M+H-H2O]+	182.09812	135.0
[M+HCOO]-	244.09906	165.0
[M+CH3COO]-	258.11471	188.4
[M+Na-2H]-	220.07553	145.6
[M]+	199.10031	142.3
[M]-	199.10141	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe