CID 4914503

2763758-68-3

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

C1CN(CCN1)CC2=NOC=C2

InChI

InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2

InChIKey

VJMTXOUUYNPWLF-UHFFFAOYSA-N

Compound name

3-(piperazin-1-ylmethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 167.10587 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]+	168.11315	135.9
[M+Na]+	190.09509	141.5
[M-H]-	166.09859	136.8
[M+NH4]+	185.13969	151.4
[M+K]+	206.06903	140.2
[M+H-H2O]+	150.10313	127.1
[M+HCOO]-	212.10407	152.5
[M+CH3COO]-	226.11972	147.2
[M+Na-2H]-	188.08054	141.4
[M]+	167.10532	131.0
[M]-	167.10642	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe