CID 25220841

1185298-52-5

Structural Information

Molecular Formula
C8H9N5O
SMILES
C1=CN=C(C=N1)C2=NOC(=N2)CCN
InChI
InChI=1S/C8H9N5O/c9-2-1-7-12-8(13-14-7)6-5-10-3-4-11-6/h3-5H,1-2,9H2
InChIKey
GKRIQURKSZBFPP-UHFFFAOYSA-N
Compound name
2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0807 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08798 139.2
[M+Na]+ 214.06992 148.6
[M-H]- 190.07342 141.2
[M+NH4]+ 209.11452 153.1
[M+K]+ 230.04386 146.5
[M+H-H2O]+ 174.07796 129.4
[M+HCOO]- 236.07890 160.7
[M+CH3COO]- 250.09455 151.7
[M+Na-2H]- 212.05537 147.0
[M]+ 191.08015 139.7
[M]- 191.08125 139.7
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.