CID 54592607

1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine

Structural Information

Molecular Formula
C9H16N4O
SMILES
CC1=NOC(=N1)C(C)N2CCNCC2
InChI
InChI=1S/C9H16N4O/c1-7(9-11-8(2)12-14-9)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3
InChIKey
RNZABCDPRFSXQG-UHFFFAOYSA-N
Compound name
3-methyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.13242 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13970 146.1
[M+Na]+ 219.12164 152.1
[M-H]- 195.12514 146.0
[M+NH4]+ 214.16624 159.4
[M+K]+ 235.09558 150.7
[M+H-H2O]+ 179.12968 136.6
[M+HCOO]- 241.13062 160.0
[M+CH3COO]- 255.14627 156.5
[M+Na-2H]- 217.10709 148.9
[M]+ 196.13187 141.9
[M]- 196.13297 141.9
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

patents stripe