CID 1415524

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

Structural Information

Molecular Formula
C3H2N2O3
SMILES
C1=NON=C1C(=O)O
InChI
InChI=1S/C3H2N2O3/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)
InChIKey
JBLHCUQCDKBPGY-UHFFFAOYSA-N
Compound name
1,2,5-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

152
Patents

114.00654 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.01382 115.6
[M+Na]+ 136.99576 125.0
[M-H]- 112.99926 116.4
[M+NH4]+ 132.04036 135.1
[M+K]+ 152.96970 126.1
[M+H-H2O]+ 97.003800 109.4
[M+HCOO]- 159.00474 137.7
[M+CH3COO]- 173.02039 162.0
[M+Na-2H]- 134.98121 123.7
[M]+ 114.00599 116.7
[M]- 114.00709 116.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe