CID 22969881

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

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC1=NOC(=N1)CCC(=O)OC
InChI
InChI=1S/C7H10N2O3/c1-5-8-6(12-9-5)3-4-7(10)11-2/h3-4H2,1-2H3
InChIKey
LQQNGSNDYYGJFA-UHFFFAOYSA-N
Compound name
methyl 3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 133.4
[M+Na]+ 193.058358 142.6
[M-H]- 169.061864 135.3
[M+NH4]+ 188.102963 151.8
[M+K]+ 209.032298 143.5
[M+H-H2O]+ 153.066400 126.6
[M+HCOO]- 215.067341 155.7
[M+CH3COO]- 229.082991 177.2
[M+Na-2H]- 191.043806 139.2
[M]+ 170.06859142 138.2
[M]- 170.06968858 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

patents stripe