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]+ 159.07642 129.6
[M+Na]+ 181.05836 138.8
[M-H]- 157.06186 131.7
[M+NH4]+ 176.10296 148.5
[M+K]+ 197.03230 140.6
[M+H-H2O]+ 141.06640 122.9
[M+HCOO]- 203.06734 152.1
[M+CH3COO]- 217.08299 175.7
[M+Na-2H]- 179.04381 135.9
[M]+ 158.06859 134.8
[M]- 158.06969 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.