CID 9815409

146422-58-4

Structural Information

Molecular Formula
C8H12N4O
SMILES
CCC1=NOC(=N1)C2CNC=NC2
InChI
InChI=1S/C8H12N4O/c1-2-7-11-8(13-12-7)6-3-9-5-10-4-6/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey
IPKFWLRXFSUTDZ-UHFFFAOYSA-N
Compound name
3-ethyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

188
Patents

180.1011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 139.4
[M+Na]+ 203.09032 147.1
[M-H]- 179.09382 139.7
[M+NH4]+ 198.13492 153.4
[M+K]+ 219.06426 145.2
[M+H-H2O]+ 163.09836 130.0
[M+HCOO]- 225.09930 156.0
[M+CH3COO]- 239.11495 150.9
[M+Na-2H]- 201.07577 144.9
[M]+ 180.10055 136.8
[M]- 180.10165 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe