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 141.7
[M+Na]+ 205.05836 153.0
[M-H]- 181.06186 147.9
[M+NH4]+ 200.10296 156.6
[M+K]+ 221.03230 152.7
[M+H-H2O]+ 165.06640 135.2
[M+HCOO]- 227.06734 163.4
[M+CH3COO]- 241.08299 181.7
[M+Na-2H]- 203.04381 147.8
[M]+ 182.06859 148.2
[M]- 182.06969 148.2
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.