CID 72206928

886767-17-5

Structural Information

Molecular Formula

C₁₅H₂₁FN₂O₂

SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C2=CC(=CC=C2)F

InChI

InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-8-7-17-13(10-18)11-5-4-6-12(16)9-11/h4-6,9,13,17H,7-8,10H2,1-3H3

InChIKey

VFGWKYYDSQLXOA-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-fluorophenyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 280.1587 Da
Monoisotopic Mass: 2.1
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]+	281.165976	167.5
[M+Na]+	303.147918	172.6
[M-H]-	279.151424	168.1
[M+NH4]+	298.192523	180.0
[M+K]+	319.121858	169.0
[M+H-H2O]+	263.155960	158.3
[M+HCOO]-	325.156901	180.0
[M+CH3COO]-	339.172551	196.3
[M+Na-2H]-	301.133366	169.2
[M]+	280.15815142	162.3
[M]-	280.15924858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe