CID 22386508

4-n-boc-2-hydroxymethylpiperazine

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃

SMILES

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

InChI

InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3

InChIKey

NSILYQWHARROMG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1488
Patents: 216.1474 Da
Monoisotopic Mass: -0.2
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]+	217.154676	153.1
[M+Na]+	239.136618	157.6
[M-H]-	215.140124	150.4
[M+NH4]+	234.181223	167.7
[M+K]+	255.110558	156.1
[M+H-H2O]+	199.144660	146.6
[M+HCOO]-	261.145601	165.6
[M+CH3COO]-	275.161251	181.3
[M+Na-2H]-	237.122066	155.6
[M]+	216.14685142	149.0
[M]-	216.14794858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe