CID 127013118

1862103-90-9

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC(C)C1=NOC(=N1)OCC#C
InChI
InChI=1S/C8H10N2O2/c1-4-5-11-8-9-7(6(2)3)10-12-8/h1,6H,5H2,2-3H3
InChIKey
OOLLZICPCZZRLG-UHFFFAOYSA-N
Compound name
3-propan-2-yl-5-prop-2-ynoxy-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 128.6
[M+Na]+ 189.06345 138.9
[M-H]- 165.06695 128.2
[M+NH4]+ 184.10805 144.7
[M+K]+ 205.03739 138.3
[M+H-H2O]+ 149.07149 115.0
[M+HCOO]- 211.07243 144.4
[M+CH3COO]- 225.08808 186.5
[M+Na-2H]- 187.04890 133.2
[M]+ 166.07368 126.4
[M]- 166.07478 126.4
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.