CID 16227880

3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoic acid

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CC1=NOC(=N1)CCC(=O)O
InChI
InChI=1S/C6H8N2O3/c1-4-7-5(11-8-4)2-3-6(9)10/h2-3H2,1H3,(H,9,10)
InChIKey
MBAYLWWSEVELLJ-UHFFFAOYSA-N
Compound name
3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

156.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 130.7
[M+Na]+ 179.04272 141.2
[M+NH4]+ 174.08732 136.8
[M+K]+ 195.01666 139.8
[M-H]- 155.04622 130.3
[M+Na-2H]- 177.02817 134.1
[M]+ 156.05295 131.7
[M]- 156.05405 131.7
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

patents stripe