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

16
Patents

168.1011 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.108376 137.0
[M+Na]+ 191.090318 144.0
[M-H]- 167.093824 137.0
[M+NH4]+ 186.134923 151.4
[M+K]+ 207.064258 142.6
[M+H-H2O]+ 151.098360 127.7
[M+HCOO]- 213.099301 152.4
[M+CH3COO]- 227.114951 148.2
[M+Na-2H]- 189.075766 141.9
[M]+ 168.10055142 132.6
[M]- 168.10164858 132.6
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