CID 135546352

3-methyl-1,2,4-oxadiazol-5-ol

Structural Information

Molecular Formula
C3H4N2O2
SMILES
CC1=NOC(=O)N1
InChI
InChI=1S/C3H4N2O2/c1-2-4-3(6)7-5-2/h1H3,(H,4,5,6)
InChIKey
RKRLQDJTVWZXMM-UHFFFAOYSA-N
Compound name
3-methyl-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

825
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 114.3
[M+Na]+ 123.01649 126.3
[M+NH4]+ 118.06110 121.6
[M+K]+ 138.99043 124.1
[M-H]- 99.019999 114.7
[M+Na-2H]- 121.00194 119.4
[M]+ 100.02673 115.8
[M]- 100.02782 115.8
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