CID 46399

2,5-diaminobenzoxazole

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC2=C(C=C1N)N=C(O2)N
InChI
InChI=1S/C7H7N3O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,8H2,(H2,9,10)
InChIKey
KGVVXUNDDIZWEL-UHFFFAOYSA-N
Compound name
1,3-benzoxazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

149.05891 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 125.8
[M+Na]+ 172.04813 138.4
[M+NH4]+ 167.09273 134.6
[M+K]+ 188.02207 135.1
[M-H]- 148.05163 129.9
[M+Na-2H]- 170.03358 132.2
[M]+ 149.05836 128.6
[M]- 149.05946 128.6
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