CID 18525344

1-[2-(propan-2-yloxy)ethyl]piperazine

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CC(C)OCCN1CCNCC1

InChI

InChI=1S/C9H20N2O/c1-9(2)12-8-7-11-5-3-10-4-6-11/h9-10H,3-8H2,1-2H3

InChIKey

HVZJSUVDFMFZCP-UHFFFAOYSA-N

Compound name

1-(2-propan-2-yloxyethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 172.15756 Da
Monoisotopic Mass: 0.3
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]+	173.164836	143.0
[M+Na]+	195.146778	146.6
[M-H]-	171.150284	141.0
[M+NH4]+	190.191383	159.6
[M+K]+	211.120718	145.3
[M+H-H2O]+	155.154820	135.5
[M+HCOO]-	217.155761	158.3
[M+CH3COO]-	231.171411	178.0
[M+Na-2H]-	193.132226	146.4
[M]+	172.15701142	138.5
[M]-	172.15810858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe