CID 138397

Dimethyl-1,2,5-oxadiazole

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC1=NON=C1C
InChI
InChI=1S/C4H6N2O/c1-3-4(2)6-7-5-3/h1-2H3
InChIKey
JKJSZGJVBAWEFB-UHFFFAOYSA-N
Compound name
3,4-dimethyl-1,2,5-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

444
Patents

98.04801 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 114.0
[M+Na]+ 121.03723 124.6
[M-H]- 97.040734 116.2
[M+NH4]+ 116.08183 135.6
[M+K]+ 137.01117 125.5
[M+H-H2O]+ 81.045270 108.0
[M+HCOO]- 143.04621 137.6
[M+CH3COO]- 157.06186 164.8
[M+Na-2H]- 119.02268 122.6
[M]+ 98.047461 116.2
[M]- 98.048559 116.2
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