CID 13742285

933760-06-6

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

C1COCC1CN2CCNCC2

InChI

InChI=1S/C9H18N2O/c1-6-12-8-9(1)7-11-4-2-10-3-5-11/h9-10H,1-8H2

InChIKey

BSWVSDVQRSJADG-UHFFFAOYSA-N

Compound name

1-(oxolan-3-ylmethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 170.1419 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]+	171.14918	140.1
[M+Na]+	193.13112	143.1
[M-H]-	169.13462	141.5
[M+NH4]+	188.17572	156.7
[M+K]+	209.10506	142.2
[M+H-H2O]+	153.13916	132.0
[M+HCOO]-	215.14010	154.7
[M+CH3COO]-	229.15575	150.5
[M+Na-2H]-	191.11657	143.1
[M]+	170.14135	132.1
[M]-	170.14245	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe