CID 5323974

5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-one

Structural Information

Molecular Formula
C3H4N2O2
SMILES
CC1=NNC(=O)O1
InChI
InChI=1S/C3H4N2O2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)
InChIKey
NNXROHRFMWHXNH-UHFFFAOYSA-N
Compound name
5-methyl-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

883
Patents

100.027275 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.03455 112.7
[M+Na]+ 123.01649 123.4
[M-H]- 99.019999 113.7
[M+NH4]+ 118.06110 133.3
[M+K]+ 138.99043 123.4
[M+H-H2O]+ 83.024535 106.9
[M+HCOO]- 145.02548 135.5
[M+CH3COO]- 159.04113 160.3
[M+Na-2H]- 121.00194 121.2
[M]+ 100.02673 113.3
[M]- 100.02782 113.3
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