CID 314768

4-methyl-1,2,5-oxadiazole-3-carboxylic acid

Structural Information

Molecular Formula
C4H4N2O3
SMILES
CC1=NON=C1C(=O)O
InChI
InChI=1S/C4H4N2O3/c1-2-3(4(7)8)6-9-5-2/h1H3,(H,7,8)
InChIKey
GAIAHHRZVGJYQW-UHFFFAOYSA-N
Compound name
4-methyl-1,2,5-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
Patents

128.02219 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02947 121.8
[M+Na]+ 151.01141 132.7
[M+NH4]+ 146.05601 128.2
[M+K]+ 166.98535 131.7
[M-H]- 127.01491 121.4
[M+Na-2H]- 148.99686 125.7
[M]+ 128.02164 122.9
[M]- 128.02274 122.9
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

patents stripe