CID 71755379

3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CC(C1=NOC(=N1)CCC(=O)O)OC
InChI
InChI=1S/C8H12N2O4/c1-5(13-2)8-9-6(14-10-8)3-4-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey
HYBUIASIUHVEPO-UHFFFAOYSA-N
Compound name
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07971 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 141.6
[M+Na]+ 223.06893 149.4
[M-H]- 199.07243 142.1
[M+NH4]+ 218.11353 157.8
[M+K]+ 239.04287 150.1
[M+H-H2O]+ 183.07697 134.7
[M+HCOO]- 245.07791 161.2
[M+CH3COO]- 259.09356 181.3
[M+Na-2H]- 221.05438 145.2
[M]+ 200.07916 145.7
[M]- 200.08026 145.7
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

No patent data available for this compound.