CID 82597606

Lithium(1+) 1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=NC(=NO1)C2(CC2)C(=O)O
InChI
InChI=1S/C7H8N2O3/c1-4-8-5(9-12-4)7(2-3-7)6(10)11/h2-3H2,1H3,(H,10,11)
InChIKey
IYCSLAZXHYYMTQ-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 136.6
[M+Na]+ 191.04272 147.9
[M-H]- 167.04622 141.6
[M+NH4]+ 186.08732 151.3
[M+K]+ 207.01666 146.9
[M+H-H2O]+ 151.05076 130.6
[M+HCOO]- 213.05170 157.2
[M+CH3COO]- 227.06735 177.1
[M+Na-2H]- 189.02817 142.9
[M]+ 168.05295 141.1
[M]- 168.05405 141.1
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.