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

4
Patents

172.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09208 134.3
[M+Na]+ 195.07402 143.8
[M-H]- 171.07752 136.4
[M+NH4]+ 190.11862 152.9
[M+K]+ 211.04796 145.3
[M+H-H2O]+ 155.08206 128.1
[M+HCOO]- 217.08300 155.8
[M+CH3COO]- 231.09865 178.3
[M+Na-2H]- 193.05947 142.1
[M]+ 172.08425 140.0
[M]- 172.08535 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