CID 68370519

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

Structural Information

Molecular Formula
C7H12N2O3
SMILES
CC1=NOC(=N1)C(C)(OC)OC
InChI
InChI=1S/C7H12N2O3/c1-5-8-6(12-9-5)7(2,10-3)11-4/h1-4H3
InChIKey
YXDZEZWXPOWPPU-UHFFFAOYSA-N
Compound name
5-(1,1-dimethoxyethyl)-3-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

172.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 134.3
[M+Na]+ 195.074018 143.8
[M-H]- 171.077524 136.4
[M+NH4]+ 190.118623 152.9
[M+K]+ 211.047958 145.3
[M+H-H2O]+ 155.082060 128.1
[M+HCOO]- 217.083001 155.8
[M+CH3COO]- 231.098651 178.3
[M+Na-2H]- 193.059466 142.1
[M]+ 172.08425142 140.0
[M]- 172.08534858 140.0
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

patents stripe