CID 61312305

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid

Structural Information

Molecular Formula
C7H10N2O4
SMILES
CCC1=NOC(=N1)COCC(=O)O
InChI
InChI=1S/C7H10N2O4/c1-2-5-8-6(13-9-5)3-12-4-7(10)11/h2-4H2,1H3,(H,10,11)
InChIKey
MXROHXRNFGPUBI-UHFFFAOYSA-N
Compound name
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.071336 136.5
[M+Na]+ 209.053278 145.0
[M-H]- 185.056784 137.0
[M+NH4]+ 204.097883 153.4
[M+K]+ 225.027218 145.5
[M+H-H2O]+ 169.061320 129.7
[M+HCOO]- 231.062261 157.5
[M+CH3COO]- 245.077911 177.4
[M+Na-2H]- 207.038726 141.8
[M]+ 186.06351142 140.9
[M]- 186.06460858 140.9
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.