CID 122164085

Methyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC1=NN=C(O1)CCC(=O)OC
InChI
InChI=1S/C7H10N2O3/c1-5-8-9-6(12-5)3-4-7(10)11-2/h3-4H2,1-2H3
InChIKey
REFOMIINHFWSLA-UHFFFAOYSA-N
Compound name
methyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 133.4
[M+Na]+ 193.05836 142.6
[M-H]- 169.06186 135.3
[M+NH4]+ 188.10296 151.8
[M+K]+ 209.03230 143.5
[M+H-H2O]+ 153.06640 126.6
[M+HCOO]- 215.06734 155.7
[M+CH3COO]- 229.08299 177.2
[M+Na-2H]- 191.04381 139.2
[M]+ 170.06859 138.2
[M]- 170.06969 138.2
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.