CID 12730674

40926-66-7

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=CC2=C(N=C1)N=C(O2)N
InChI
InChI=1S/C6H5N3O/c7-6-9-5-4(10-6)2-1-3-8-5/h1-3H,(H2,7,8,9)
InChIKey
AVSYPWBWFBPSEU-UHFFFAOYSA-N
Compound name
[1,3]oxazolo[4,5-b]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

135.04326 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.050536 120.8
[M+Na]+ 158.032478 132.2
[M-H]- 134.035984 123.9
[M+NH4]+ 153.077083 141.3
[M+K]+ 174.006418 130.9
[M+H-H2O]+ 118.040520 114.1
[M+HCOO]- 180.041461 145.6
[M+CH3COO]- 194.057111 136.1
[M+Na-2H]- 156.017926 131.6
[M]+ 135.04271142 122.4
[M]- 135.04380858 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe