CID 46738183

1017789-35-3

Structural Information

Molecular Formula

C₁₀H₁₉FN₂O₂

SMILES

CC(C)(C)OC(=O)N1CCNCC1CF

InChI

InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-12-7-8(13)6-11/h8,12H,4-7H2,1-3H3

InChIKey

WSZMTMVUMXXGHQ-UHFFFAOYSA-N

Compound name

tert-butyl 2-(fluoromethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 218.14305 Da
Monoisotopic Mass: 0.9
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]+	219.15033	152.2
[M+Na]+	241.13227	157.3
[M-H]-	217.13577	149.5
[M+NH4]+	236.17687	167.4
[M+K]+	257.10621	155.6
[M+H-H2O]+	201.14031	144.6
[M+HCOO]-	263.14125	164.9
[M+CH3COO]-	277.15690	184.4
[M+Na-2H]-	239.11772	154.6
[M]+	218.14250	147.3
[M]-	218.14360	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe