CID 28344851

2031261-01-3

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1CC1C2=NN=C(O2)CCC(=O)O
InChI
InChI=1S/C8H10N2O3/c11-7(12)4-3-6-9-10-8(13-6)5-1-2-5/h5H,1-4H2,(H,11,12)
InChIKey
JPXHOAIKSNPMOJ-UHFFFAOYSA-N
Compound name
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 141.2
[M+Na]+ 205.05836 151.4
[M-H]- 181.06186 145.7
[M+NH4]+ 200.10296 153.4
[M+K]+ 221.03230 149.1
[M+H-H2O]+ 165.06640 133.7
[M+HCOO]- 227.06734 161.8
[M+CH3COO]- 241.08299 180.3
[M+Na-2H]- 203.04381 145.8
[M]+ 182.06859 145.5
[M]- 182.06969 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.