CID 2560586

523980-18-9

Structural Information

Molecular Formula

C₁₂H₁₇FN₂O

SMILES

COC1=C(C=C(C=C1)CN2CCNCC2)F

InChI

InChI=1S/C12H17FN2O/c1-16-12-3-2-10(8-11(12)13)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3

InChIKey

DOHKJEHZIZZYLD-UHFFFAOYSA-N

Compound name

1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 224.13249 Da
Monoisotopic Mass: 1.2
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]+	225.13977	152.9
[M+Na]+	247.12171	164.6
[M+NH4]+	242.16631	160.2
[M+K]+	263.09565	157.7
[M-H]-	223.12521	154.2
[M+Na-2H]-	245.10716	159.0
[M]+	224.13194	154.7
[M]-	224.13304	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe