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]+ 192.087976 139.2
[M+Na]+ 214.069918 148.6
[M-H]- 190.073424 141.2
[M+NH4]+ 209.114523 153.1
[M+K]+ 230.043858 146.5
[M+H-H2O]+ 174.077960 129.4
[M+HCOO]- 236.078901 160.7
[M+CH3COO]- 250.094551 151.7
[M+Na-2H]- 212.055366 147.0
[M]+ 191.08015142 139.7
[M]- 191.08124858 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.