CID 75488504

1806379-17-8

Structural Information

Molecular Formula
C8H5N3O
SMILES
C1=CC2=C(C=C1C#N)OC(=N2)N
InChI
InChI=1S/C8H5N3O/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h1-3H,(H2,10,11)
InChIKey
DKVFUVHAXZPHRG-UHFFFAOYSA-N
Compound name
2-amino-1,3-benzoxazole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

159.04326 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.050536 131.5
[M+Na]+ 182.032478 144.6
[M-H]- 158.035984 134.6
[M+NH4]+ 177.077083 150.1
[M+K]+ 198.006418 141.1
[M+H-H2O]+ 142.040520 118.4
[M+HCOO]- 204.041461 152.8
[M+CH3COO]- 218.057111 144.8
[M+Na-2H]- 180.017926 139.5
[M]+ 159.04271142 128.1
[M]- 159.04380858 128.1
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

patents stripe