CID 4736391

2,5-dimethyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC1=NN=C(O1)C
InChI
InChI=1S/C4H6N2O/c1-3-5-6-4(2)7-3/h1-2H3
InChIKey
YVDWFZIVIIKYBQ-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1775
Patents

98.04801 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 115.1
[M+Na]+ 121.03723 127.9
[M+NH4]+ 116.08183 123.5
[M+K]+ 137.01117 124.8
[M-H]- 97.040734 116.9
[M+Na-2H]- 119.02268 121.2
[M]+ 98.047461 117.3
[M]- 98.048559 117.3
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