CID 20120850

5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1C(OC2=CC=CC=C21)C3=NN=C(O3)N
InChI
InChI=1S/C10H9N3O2/c11-10-13-12-9(15-10)8-5-6-3-1-2-4-7(6)14-8/h1-4,8H,5H2,(H2,11,13)
InChIKey
WIRXXPMFPSECKP-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.06947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 139.7
[M+Na]+ 226.058688 149.4
[M-H]- 202.062194 146.4
[M+NH4]+ 221.103293 157.5
[M+K]+ 242.032628 148.7
[M+H-H2O]+ 186.066730 132.8
[M+HCOO]- 248.067671 161.8
[M+CH3COO]- 262.083321 153.7
[M+Na-2H]- 224.044136 145.7
[M]+ 203.06892142 140.7
[M]- 203.07001858 140.7
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