CID 4306964

2305253-47-6

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=CC2=NON=C2C=C1N
InChI
InChI=1S/C6H5N3O/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2
InChIKey
JBKKAEOGAYZJCM-UHFFFAOYSA-N
Compound name
2,1,3-benzoxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

135.04326 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 121.4
[M+Na]+ 158.03248 135.1
[M+NH4]+ 153.07708 130.2
[M+K]+ 174.00642 131.6
[M-H]- 134.03598 124.5
[M+Na-2H]- 156.01793 128.6
[M]+ 135.04271 124.1
[M]- 135.04381 124.1
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