CID 19811946

888504-28-7

Structural Information

Molecular Formula
C4H4N2O3
SMILES
CC1=NN=C(O1)C(=O)O
InChI
InChI=1S/C4H4N2O3/c1-2-5-6-3(9-2)4(7)8/h1H3,(H,7,8)
InChIKey
QPXQPPXGTQABCW-UHFFFAOYSA-N
Compound name
5-methyl-1,3,4-oxadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

128.02219 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02947 120.0
[M+Na]+ 151.01141 130.0
[M-H]- 127.01491 121.0
[M+NH4]+ 146.05601 139.3
[M+K]+ 166.98535 130.7
[M+H-H2O]+ 111.01945 114.0
[M+HCOO]- 173.02039 141.8
[M+CH3COO]- 187.03604 166.2
[M+Na-2H]- 148.99686 126.9
[M]+ 128.02164 121.9
[M]- 128.02274 121.9
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