CID 45496637

5-(1-methyl-1h-pyrazol-5-yl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C6H7N5O
SMILES
CN1C(=CC=N1)C2=NN=C(O2)N
InChI
InChI=1S/C6H7N5O/c1-11-4(2-3-8-11)5-9-10-6(7)12-5/h2-3H,1H3,(H2,7,10)
InChIKey
NSDYZEMIJHVYLH-UHFFFAOYSA-N
Compound name
5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06506 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07234 129.7
[M+Na]+ 188.05428 141.6
[M-H]- 164.05778 133.0
[M+NH4]+ 183.09888 146.9
[M+K]+ 204.02822 140.5
[M+H-H2O]+ 148.06232 121.2
[M+HCOO]- 210.06326 154.0
[M+CH3COO]- 224.07891 144.2
[M+Na-2H]- 186.03973 135.9
[M]+ 165.06451 132.1
[M]- 165.06561 132.1
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.