CID 16227710

1181458-05-8

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CN=CC=C1C2=NOC(=N2)CN
InChI
InChI=1S/C8H8N4O/c9-5-7-11-8(12-13-7)6-1-3-10-4-2-6/h1-4H,5,9H2
InChIKey
VWSKAKZXPVMTLX-UHFFFAOYSA-N
Compound name
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

176.06981 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 134.5
[M+Na]+ 199.059028 143.9
[M-H]- 175.062534 138.0
[M+NH4]+ 194.103633 150.5
[M+K]+ 215.032968 142.1
[M+H-H2O]+ 159.067070 125.7
[M+HCOO]- 221.068011 157.4
[M+CH3COO]- 235.083661 147.9
[M+Na-2H]- 197.044476 142.5
[M]+ 176.06926142 134.5
[M]- 176.07035858 134.5
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

patents stripe