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]+ 180.087976 134.3
[M+Na]+ 202.069918 144.5
[M-H]- 178.073424 137.3
[M+NH4]+ 197.114523 150.6
[M+K]+ 218.043858 143.7
[M+H-H2O]+ 162.077960 125.3
[M+HCOO]- 224.078901 157.3
[M+CH3COO]- 238.094551 147.9
[M+Na-2H]- 200.055366 139.6
[M]+ 179.08015142 136.1
[M]- 179.08124858 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.