CID 15561711

2839156-42-0

Structural Information

Molecular Formula
C5H7N3O3
SMILES
CN(C)C1=NN=C(O1)C(=O)O
InChI
InChI=1S/C5H7N3O3/c1-8(2)5-7-6-3(11-5)4(9)10/h1-2H3,(H,9,10)
InChIKey
ROXVCZPTUUZDQW-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1,3,4-oxadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.04874 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.05602 128.9
[M+Na]+ 180.03796 137.6
[M-H]- 156.04146 131.3
[M+NH4]+ 175.08256 147.3
[M+K]+ 196.01190 139.4
[M+H-H2O]+ 140.04600 121.9
[M+HCOO]- 202.04694 151.9
[M+CH3COO]- 216.06259 177.7
[M+Na-2H]- 178.02341 134.9
[M]+ 157.04819 131.6
[M]- 157.04929 131.6
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.