CID 33679829

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

Structural Information

Molecular Formula
C7H9N5O
SMILES
CC1=CC(=NN1C)C2=NN=C(O2)N
InChI
InChI=1S/C7H9N5O/c1-4-3-5(11-12(4)2)6-9-10-7(8)13-6/h3H,1-2H3,(H2,8,10)
InChIKey
IJJYBMUCTIEDNE-UHFFFAOYSA-N
Compound name
5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

179.0807 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 135.0
[M+Na]+ 202.06992 147.4
[M-H]- 178.07342 138.6
[M+NH4]+ 197.11452 152.0
[M+K]+ 218.04386 145.9
[M+H-H2O]+ 162.07796 126.6
[M+HCOO]- 224.07890 159.0
[M+CH3COO]- 238.09455 149.4
[M+Na-2H]- 200.05537 139.9
[M]+ 179.08015 138.2
[M]- 179.08125 138.2
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

No patent data available for this compound.