CID 86811546

Methyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetate

Structural Information

Molecular Formula
C8H10N2O3
SMILES
COC(=O)CC1=NN=C(O1)C2CC2
InChI
InChI=1S/C8H10N2O3/c1-12-7(11)4-6-9-10-8(13-6)5-2-3-5/h5H,2-4H2,1H3
InChIKey
NPMNUVPAPBRJEM-UHFFFAOYSA-N
Compound name
methyl 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 142.3
[M+Na]+ 205.05836 153.0
[M-H]- 181.06186 148.2
[M+NH4]+ 200.10296 155.3
[M+K]+ 221.03230 151.7
[M+H-H2O]+ 165.06640 134.6
[M+HCOO]- 227.06734 164.3
[M+CH3COO]- 241.08299 182.2
[M+Na-2H]- 203.04381 147.3
[M]+ 182.06859 148.3
[M]- 182.06969 148.3
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.