CID 122164241

Methyl 5-(1-methylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1(CC1)C2=NN=C(O2)C(=O)OC
InChI
InChI=1S/C8H10N2O3/c1-8(3-4-8)7-10-9-5(13-7)6(11)12-2/h3-4H2,1-2H3
InChIKey
VGEPFMKRUUCFLF-UHFFFAOYSA-N
Compound name
methyl 5-(1-methylcyclopropyl)-1,3,4-oxadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 142.1
[M+Na]+ 205.05836 154.8
[M+NH4]+ 200.10296 150.8
[M+K]+ 221.03230 152.0
[M-H]- 181.06186 150.8
[M+Na-2H]- 203.04381 150.8
[M]+ 182.06859 147.5
[M]- 182.06969 147.5
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.