CID 303862

2-hydrazinobenzoxazole

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC=C2C(=C1)N=C(O2)NN
InChI
InChI=1S/C7H7N3O/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
InChIKey
QITJGSMHKVXOFR-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-2-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

125
Patents

149.05891 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 124.2
[M+Na]+ 172.048128 134.3
[M-H]- 148.051634 128.6
[M+NH4]+ 167.092733 145.2
[M+K]+ 188.022068 132.8
[M+H-H2O]+ 132.056170 117.8
[M+HCOO]- 194.057111 151.1
[M+CH3COO]- 208.072761 139.3
[M+Na-2H]- 170.033576 135.2
[M]+ 149.05836142 125.0
[M]- 149.05945858 125.0
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