CID 105518977

1780885-59-7

Structural Information

Molecular Formula

C₁₃H₂₅N₃O₃

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2(COC2)CN

InChI

InChI=1S/C13H25N3O3/c1-12(2,3)19-11(17)15-4-6-16(7-5-15)13(8-14)9-18-10-13/h4-10,14H2,1-3H3

InChIKey

WNOIKMDUPKLYFK-UHFFFAOYSA-N

Compound name

tert-butyl 4-[3-(aminomethyl)oxetan-3-yl]piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 271.1896 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]+	272.196876	166.7
[M+Na]+	294.178818	168.6
[M-H]-	270.182324	169.3
[M+NH4]+	289.223423	173.7
[M+K]+	310.152758	172.4
[M+H-H2O]+	254.186860	153.9
[M+HCOO]-	316.187801	178.9
[M+CH3COO]-	330.203451	200.5
[M+Na-2H]-	292.164266	169.4
[M]+	271.18905142	172.2
[M]-	271.19014858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe