CID 43559082

1864015-38-2

Structural Information

Molecular Formula
C7H9N5O
SMILES
CN1C=C(C=N1)C(C2=NOC=N2)N
InChI
InChI=1S/C7H9N5O/c1-12-3-5(2-10-12)6(8)7-9-4-13-11-7/h2-4,6H,8H2,1H3
InChIKey
HTBXKJQHKYQMIO-UHFFFAOYSA-N
Compound name
(1-methylpyrazol-4-yl)-(1,2,4-oxadiazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0807 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 134.3
[M+Na]+ 202.06992 144.5
[M-H]- 178.07342 137.3
[M+NH4]+ 197.11452 150.6
[M+K]+ 218.04386 143.7
[M+H-H2O]+ 162.07796 125.3
[M+HCOO]- 224.07890 157.3
[M+CH3COO]- 238.09455 147.9
[M+Na-2H]- 200.05537 139.6
[M]+ 179.08015 136.1
[M]- 179.08125 136.1
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.