CID 66993527

2230803-18-4

Structural Information

Molecular Formula
C5H6N2O4
SMILES
COCC1=NOC(=N1)C(=O)O
InChI
InChI=1S/C5H6N2O4/c1-10-2-3-6-4(5(8)9)11-7-3/h2H2,1H3,(H,8,9)
InChIKey
GUKUWPKZHJMRJT-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1,2,4-oxadiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

158.03276 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.040036 127.2
[M+Na]+ 181.021978 136.5
[M-H]- 157.025484 128.0
[M+NH4]+ 176.066583 145.2
[M+K]+ 196.995918 137.5
[M+H-H2O]+ 141.030020 120.7
[M+HCOO]- 203.030961 148.8
[M+CH3COO]- 217.046611 171.4
[M+Na-2H]- 179.007426 133.6
[M]+ 158.03221142 130.8
[M]- 158.03330858 130.8
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