CID 82597723

1440955-11-2

Structural Information

Molecular Formula

C₇H₁₂N₄O

SMILES

CC1=NC(=NO1)N2CCNCC2

InChI

InChI=1S/C7H12N4O/c1-6-9-7(10-12-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3

InChIKey

RGGSNFVJBZMGMM-UHFFFAOYSA-N

Compound name

5-methyl-3-piperazin-1-yl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 168.1011 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]+	169.10838	137.0
[M+Na]+	191.09032	144.0
[M-H]-	167.09382	137.0
[M+NH4]+	186.13492	151.4
[M+K]+	207.06426	142.6
[M+H-H2O]+	151.09836	127.7
[M+HCOO]-	213.09930	152.4
[M+CH3COO]-	227.11495	148.2
[M+Na-2H]-	189.07577	141.9
[M]+	168.10055	132.6
[M]-	168.10165	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe