CID 57886914

Tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCNC(C1)COC

InChI

InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-12-9(7-13)8-15-4/h9,12H,5-8H2,1-4H3

InChIKey

QBJWNCXOPXVECA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 230.16304 Da
Monoisotopic Mass: 0.4
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]+	231.170316	156.7
[M+Na]+	253.152258	161.3
[M-H]-	229.155764	155.3
[M+NH4]+	248.196863	171.5
[M+K]+	269.126198	160.3
[M+H-H2O]+	213.160300	149.8
[M+HCOO]-	275.161241	170.4
[M+CH3COO]-	289.176891	186.8
[M+Na-2H]-	251.137706	159.3
[M]+	230.16249142	154.9
[M]-	230.16358858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe