CID 62312437

1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine

Structural Information

Molecular Formula
C9H16N4O2
SMILES
COCC1=NOC(=N1)CN2CCNCC2
InChI
InChI=1S/C9H16N4O2/c1-14-7-8-11-9(15-12-8)6-13-4-2-10-3-5-13/h10H,2-7H2,1H3
InChIKey
MQNYMOVBOMVQTF-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.12732 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13460 148.2
[M+Na]+ 235.11654 154.2
[M-H]- 211.12004 147.9
[M+NH4]+ 230.16114 160.7
[M+K]+ 251.09048 152.9
[M+H-H2O]+ 195.12458 138.4
[M+HCOO]- 257.12552 163.2
[M+CH3COO]- 271.14117 181.8
[M+Na-2H]- 233.10199 152.2
[M]+ 212.12677 145.9
[M]- 212.12787 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.