CID 20299946

2-amino-1,3-benzoxazole-5-carbonitrile

Structural Information

Molecular Formula
C8H5N3O
SMILES
C1=CC2=C(C=C1C#N)N=C(O2)N
InChI
InChI=1S/C8H5N3O/c9-4-5-1-2-7-6(3-5)11-8(10)12-7/h1-3H,(H2,10,11)
InChIKey
VJOPQWZOQSYBLS-UHFFFAOYSA-N
Compound name
2-amino-1,3-benzoxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

159.04326 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05054 134.2
[M+Na]+ 182.03248 147.0
[M+NH4]+ 177.07708 139.3
[M+K]+ 198.00642 139.7
[M-H]- 158.03598 130.1
[M+Na-2H]- 180.01793 137.9
[M]+ 159.04271 134.0
[M]- 159.04381 134.0
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