CID 16227112

923183-36-2

Structural Information

Molecular Formula

C₁₄H₁₉F₂NO₂

SMILES

COC1=C(C=CC(=C1)C2(CCCC2)CN)OC(F)F

InChI

InChI=1S/C14H19F2NO2/c1-18-12-8-10(4-5-11(12)19-13(15)16)14(9-17)6-2-3-7-14/h4-5,8,13H,2-3,6-7,9,17H2,1H3

InChIKey

YFFRJLLEJCROBY-UHFFFAOYSA-N

Compound name

[1-[4-(difluoromethoxy)-3-methoxyphenyl]cyclopentyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 271.1384 Da
Monoisotopic Mass: 3.5
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]+	272.145676	160.3
[M+Na]+	294.127618	166.5
[M-H]-	270.131124	163.7
[M+NH4]+	289.172223	179.7
[M+K]+	310.101558	163.6
[M+H-H2O]+	254.135660	152.2
[M+HCOO]-	316.136601	180.3
[M+CH3COO]-	330.152251	199.0
[M+Na-2H]-	292.113066	160.7
[M]+	271.13785142	156.7
[M]-	271.13894858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe