CID 95913800

2-(dimethoxymethyl)-5-methyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C6H10N2O3
SMILES
CC1=NN=C(O1)C(OC)OC
InChI
InChI=1S/C6H10N2O3/c1-4-7-8-5(11-4)6(9-2)10-3/h6H,1-3H3
InChIKey
VKNADYCMARQBII-UHFFFAOYSA-N
Compound name
2-(dimethoxymethyl)-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.076416 129.6
[M+Na]+ 181.058358 138.8
[M-H]- 157.061864 131.7
[M+NH4]+ 176.102963 148.5
[M+K]+ 197.032298 140.6
[M+H-H2O]+ 141.066400 122.9
[M+HCOO]- 203.067341 152.1
[M+CH3COO]- 217.082991 175.7
[M+Na-2H]- 179.043806 135.9
[M]+ 158.06859142 134.8
[M]- 158.06968858 134.8
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.