CID 12666186

71649-29-1

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

CC(C)(COC(=O)N1CCNCC1)O

InChI

InChI=1S/C9H18N2O3/c1-9(2,13)7-14-8(12)11-5-3-10-4-6-11/h10,13H,3-7H2,1-2H3

InChIKey

BEBULARNHRENRL-UHFFFAOYSA-N

Compound name

(2-hydroxy-2-methylpropyl) piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 202.13174 Da
Monoisotopic Mass: -0.6
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]+	203.139016	148.5
[M+Na]+	225.120958	152.5
[M-H]-	201.124464	145.6
[M+NH4]+	220.165563	163.3
[M+K]+	241.094898	151.1
[M+H-H2O]+	185.129000	141.9
[M+HCOO]-	247.129941	161.4
[M+CH3COO]-	261.145591	177.7
[M+Na-2H]-	223.106406	152.3
[M]+	202.13119142	143.8
[M]-	202.13228858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe